4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide

C23H21N3O3 — CID 109046750

IUPAC4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-16(27)25-20-8-5-9-21(14-20)26-23(29)19-12-10-18(11-13-19)22(28)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyZTJWHYFGTBLZCN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.83
Rot. Bonds6

About 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide

4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide (PubChem CID 109046750) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
PubChem CID109046750
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-16(27)25-20-8-5-9-21(14-20)26-23(29)19-12-10-18(11-13-19)22(28)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyZTJWHYFGTBLZCN-UHFFFAOYSA-N
XLogP3.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide (CID 109046750) is 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide?
The InChIKey is ZTJWHYFGTBLZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(27)25-20-8-5-9-21(14-20)26-23(29)19-12-10-18(11-13-19)22(28)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide?
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109046750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).