4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide

C14H11ClFN3O2 — CID 107793937

IUPAC4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(N)cc2F)ccc1Cl
InChIInChI=1S/C14H11ClFN3O2/c15-11-4-2-8(6-10(11)13(18)20)19-14(21)9-3-1-7(17)5-12(9)16/h1-6H,17H2,(H2,18,20)(H,19,21)
InChIKeyPXHVGVQHSVFCMC-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.41
Rot. Bonds3

About 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide

4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide (PubChem CID 107793937) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
PubChem CID107793937
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC Name4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(N)cc2F)ccc1Cl
InChIInChI=1S/C14H11ClFN3O2/c15-11-4-2-8(6-10(11)13(18)20)19-14(21)9-3-1-7(17)5-12(9)16/h1-6H,17H2,(H2,18,20)(H,19,21)
InChIKeyPXHVGVQHSVFCMC-UHFFFAOYSA-N
XLogP2.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide (CID 107793937) is 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide is NC(=O)c1cc(NC(=O)c2ccc(N)cc2F)ccc1Cl.
What is the InChIKey of 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The InChIKey is PXHVGVQHSVFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-11-4-2-8(6-10(11)13(18)20)19-14(21)9-3-1-7(17)5-12(9)16/h1-6H,17H2,(H2,18,20)(H,19,21).
What are the key properties of 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide has a molecular weight of 307.71 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 107793937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).