3-[[4-(acetamidomethyl)benzoyl]amino]benzamide

C17H17N3O3 — CID 78807046

IUPAC3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-11(21)19-10-12-5-7-13(8-6-12)17(23)20-15-4-2-3-14(9-15)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyPNWAMTJQSBEXLP-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.67
Rot. Bonds5

About 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide

3-[[4-(acetamidomethyl)benzoyl]amino]benzamide (PubChem CID 78807046) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
PubChem CID78807046
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-11(21)19-10-12-5-7-13(8-6-12)17(23)20-15-4-2-3-14(9-15)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyPNWAMTJQSBEXLP-UHFFFAOYSA-N
XLogP1.67
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
CID 39164495
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide (CID 78807046) is 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide is CC(=O)NCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide?
The InChIKey is PNWAMTJQSBEXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(21)19-10-12-5-7-13(8-6-12)17(23)20-15-4-2-3-14(9-15)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)(H,20,23).
What are the key properties of 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide?
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(acetamidomethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 78807046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).