4-acetamido-N-(2-aminophenyl)-N-methylbenzamide

C16H17N3O2 — CID 143459430

IUPAC4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-11(20)18-13-9-7-12(8-10-13)16(21)19(2)15-6-4-3-5-14(15)17/h3-10H,17H2,1-2H3,(H,18,20)
InChIKeyBUWOWPJEMSFBGT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds3

About 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide

4-acetamido-N-(2-aminophenyl)-N-methylbenzamide (PubChem CID 143459430) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
PubChem CID143459430
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-11(20)18-13-9-7-12(8-10-13)16(21)19(2)15-6-4-3-5-14(15)17/h3-10H,17H2,1-2H3,(H,18,20)
InChIKeyBUWOWPJEMSFBGT-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
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

N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
CID 79215761
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
N-(2-aminophenyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446196
N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide
CID 62831116

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide?
The IUPAC name of 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide (CID 143459430) is 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide?
The canonical SMILES for 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide is CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2N)cc1.
What is the InChIKey of 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide?
The InChIKey is BUWOWPJEMSFBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(20)18-13-9-7-12(8-10-13)16(21)19(2)15-6-4-3-5-14(15)17/h3-10H,17H2,1-2H3,(H,18,20).
What are the key properties of 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide?
4-acetamido-N-(2-aminophenyl)-N-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-aminophenyl)-N-methylbenzamide is sourced from PubChem (CID 143459430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).