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

C16H14Cl2N2O2 — CID 18194972

IUPAC4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-14(17)15(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOGIXLZRVHDWZSN-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.88
Rot. Bonds4

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

4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide (PubChem CID 18194972) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
PubChem CID18194972
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-14(17)15(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOGIXLZRVHDWZSN-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
CID 39164495
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide (CID 18194972) is 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is OGIXLZRVHDWZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-14(17)15(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide?
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 337.21 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 18194972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).