4-butyl-N-(3,4-dichlorophenyl)benzamide

C17H17Cl2NO — CID 3618565

IUPAC4-butyl-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyNSHNASSVSSHHBG-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.59
Rot. Bonds5

About 4-butyl-N-(3,4-dichlorophenyl)benzamide

4-butyl-N-(3,4-dichlorophenyl)benzamide (PubChem CID 3618565) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-butyl-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(3,4-dichlorophenyl)benzamide
PubChem CID3618565
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-butyl-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyNSHNASSVSSHHBG-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
4-butyl-N-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5171359
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-butyl-N-(3,4-dichlorophenyl)benzamide (CID 3618565) is 4-butyl-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-butyl-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-butyl-N-(3,4-dichlorophenyl)benzamide is CCCCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-butyl-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is NSHNASSVSSHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-3-4-12-5-7-13(8-6-12)17(21)20-14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3,(H,20,21).
What are the key properties of 4-butyl-N-(3,4-dichlorophenyl)benzamide?
4-butyl-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 322.24 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 3618565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).