4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide

C22H21N3O2 — CID 11417056

IUPAC4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
SMILESCC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16(26)25(19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)22(27)24-21-10-6-5-9-20(21)23/h2-14H,15,23H2,1H3,(H,24,27)
InChIKeyAMCUDWSGEYQQSS-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.07
Rot. Bonds5

About 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide

4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide (PubChem CID 11417056) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide.

Molecular Properties

Compound Name4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
PubChem CID11417056
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
SMILESCC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16(26)25(19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)22(27)24-21-10-6-5-9-20(21)23/h2-14H,15,23H2,1H3,(H,24,27)
InChIKeyAMCUDWSGEYQQSS-UHFFFAOYSA-N
XLogP4.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(6-methyl-2-pyridinyl)carbamate
CID 68847526
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196

Frequently Asked Questions

What is the IUPAC name of 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide?
The IUPAC name of 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide (CID 11417056) is 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide.
What is the SMILES notation for 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide?
The canonical SMILES for 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide is CC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1.
What is the InChIKey of 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide?
The InChIKey is AMCUDWSGEYQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)25(19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)22(27)24-21-10-6-5-9-20(21)23/h2-14H,15,23H2,1H3,(H,24,27).
What are the key properties of 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide?
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide is sourced from PubChem (CID 11417056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).