4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide

C21H16ClFN2O4 — CID 52701764

IUPAC4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2O)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClFN2O4/c1-29-19-9-7-13(24-21(28)15-4-2-3-5-18(15)26)11-17(19)25-20(27)14-8-6-12(22)10-16(14)23/h2-11,26H,1H3,(H,24,28)(H,25,27)
InChIKeyUIMMNKUZICYJKQ-UHFFFAOYSA-N
MW414.82 g/mol
LogP4.70
Rot. Bonds5

About 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide

4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide (PubChem CID 52701764) has the molecular formula C21H16ClFN2O4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
PubChem CID52701764
Molecular FormulaC21H16ClFN2O4
Molecular Weight414.82 g/mol
Exact Mass414.08
IUPAC Name4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2O)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClFN2O4/c1-29-19-9-7-13(24-21(28)15-4-2-3-5-18(15)26)11-17(19)25-20(27)14-8-6-12(22)10-16(14)23/h2-11,26H,1H3,(H,24,28)(H,25,27)
InChIKeyUIMMNKUZICYJKQ-UHFFFAOYSA-N
XLogP4.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide (CID 52701764) is 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccccc2O)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide?
The InChIKey is UIMMNKUZICYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O4/c1-29-19-9-7-13(24-21(28)15-4-2-3-5-18(15)26)11-17(19)25-20(27)14-8-6-12(22)10-16(14)23/h2-11,26H,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide?
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide has a molecular weight of 414.82 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 52701764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).