N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide

C16H16N4O3 — CID 108884186

IUPACN-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H16N4O3/c1-10(21)18-13-3-2-4-14(9-13)19-16(23)20-15(22)11-5-7-12(17)8-6-11/h2-9H,17H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyODCBIZRPLLXFRD-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.19
Rot. Bonds3

About N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide

N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide (PubChem CID 108884186) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
PubChem CID108884186
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H16N4O3/c1-10(21)18-13-3-2-4-14(9-13)19-16(23)20-15(22)11-5-7-12(17)8-6-11/h2-9H,17H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyODCBIZRPLLXFRD-UHFFFAOYSA-N
XLogP2.19
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
CID 108875346
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
CID 163839417
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
CID 70307077
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
CID 108896594
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 59457943
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide?
The IUPAC name of N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide (CID 108884186) is N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide is CC(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(N)cc2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide?
The InChIKey is ODCBIZRPLLXFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(21)18-13-3-2-4-14(9-13)19-16(23)20-15(22)11-5-7-12(17)8-6-11/h2-9H,17H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide?
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide has a molecular weight of 312.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide is sourced from PubChem (CID 108884186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).