N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide

C19H20N2O3 — CID 59376462

IUPACN-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
SMILESCC(=O)C(C)(C(C)=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H20N2O3/c1-12(22)19(3,13(2)23)15-10-8-14(9-11-15)18(24)21-17-7-5-4-6-16(17)20/h4-11H,20H2,1-3H3,(H,21,24)
InChIKeyRQAOXKCLESKFBE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.96
Rot. Bonds5

About N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide

N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide (PubChem CID 59376462) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
PubChem CID59376462
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
SMILESCC(=O)C(C)(C(C)=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H20N2O3/c1-12(22)19(3,13(2)23)15-10-8-14(9-11-15)18(24)21-17-7-5-4-6-16(17)20/h4-11H,20H2,1-3H3,(H,21,24)
InChIKeyRQAOXKCLESKFBE-UHFFFAOYSA-N
XLogP2.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide (CID 59376462) is N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide is CC(=O)C(C)(C(C)=O)c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide?
The InChIKey is RQAOXKCLESKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(22)19(3,13(2)23)15-10-8-14(9-11-15)18(24)21-17-7-5-4-6-16(17)20/h4-11H,20H2,1-3H3,(H,21,24).
What are the key properties of N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide?
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide is sourced from PubChem (CID 59376462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).