4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide

C15H14FN3O2 — CID 43706640

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H14FN3O2/c1-8-6-9(14(18)20)2-5-13(8)19-15(21)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyCVXYXJAGIMODAF-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.07
Rot. Bonds3

About 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide

4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide (PubChem CID 43706640) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
PubChem CID43706640
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H14FN3O2/c1-8-6-9(14(18)20)2-5-13(8)19-15(21)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyCVXYXJAGIMODAF-UHFFFAOYSA-N
XLogP2.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.07
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-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
4-[(2-amino-4-chlorobenzoyl)amino]-3-methylbenzamide
CID 62059537
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide (CID 43706640) is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide?
The InChIKey is CVXYXJAGIMODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-8-6-9(14(18)20)2-5-13(8)19-15(21)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide?
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide is sourced from PubChem (CID 43706640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).