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Chemical ID: 7260330
Chemical ID:
7260330
Name [?]:
N-(4-bromophenyl)-2-[(5-chloro-2-methoxy-phenyl)carbamoylmethyl-methyl-amino]-acetamide
SMILES [?]:
CN(CC(=O)Nc1ccc(cc1)Br)CC(=O)Nc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C18H19BrClN3O3/c1-23(10-17(24)21-14-6-3-12(19)4-7-14)11-18(25)22-15-9-13(20)5-8-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,9,11,21,8,12,22,19,3,14,10,20,7,18,23,4,15,13,26,6,17,2,5,16,24/E:(3,4)(6,7)/rA:26cCNCCONCCCCCCBrCCONCCCCCCOCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s2;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19BrClN3O3 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.6859 |
Area: | 614.947 |
Solvation: | -5.68778 |
Coulombic: | -52.7937 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.719 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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