Chemical ID: 7281331

CC(C(=O)Nc1ccc(cc1)Br)N(C)CC(=O)Nc2ccc(cc2)OC
Chemical ID:
7281331
Name [?]:
N-(4-bromophenyl)-2-[(4-methoxyphenyl)carbamoylmethyl-methyl-amino]-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)Br)N(C)CC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H22BrN3O3/c1-13(19(25)22-16-6-4-14(20)5-7-16)23(2)12-18(24)21-15-8-10-17(26-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,26,8,10,7,11,20,24,21,23,15,2,9,19,6,22,16,3,12,18,5,13,17,4,25/E:(4,5)(6,7)(8,9)(10,11)/rA:26cCCCONCCCCCCBrNCCCONCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s2;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22BrN3O3
All Atoms:48
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:9.41405
Area:597.797
Solvation:-5.53086
Coulombic:-52.7866
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.3
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):3.4

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