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Chemical ID: 5934272

Chemical ID:

5934272

Name [?]:

N-butyl-3,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide

SMILES [?]:

CCCCN(Cc1cccn1C)C(=O)c2cc(cc(c2)Cl)Cl

InChi [?]:

InChI=1/C17H20Cl2N2O/c1-3-4-8-21(12-16-6-5-7-20(16)2)17(22)13-9-14(18)11-15(19)10-13/h5-7,9-11H,3-4,8,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,2,3,9,8,10,4,16,20,18,6,15,17,19,7,13,22,21,11,5,14/E:(9,10)(14,15)(18,19)/rA:22nCCCCNCCCCCNCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s5;d13;s13;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀Cl₂N₂O
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.176
Area:	530.795
Solvation:	-2.09384
Coulombic:	-24.7228

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.259
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.98
LogP (Chemaxon):	4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value