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

C20H22ClFN2O3 — CID 55890582

IUPAC4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
SMILESCCCCCC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H22ClFN2O3/c1-3-4-5-6-19(25)23-14-8-10-18(27-2)17(12-14)24-20(26)15-9-7-13(21)11-16(15)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIUNHQDAVHPHBAT-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.26
Rot. Bonds8

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

4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide (PubChem CID 55890582) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
PubChem CID55890582
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
SMILESCCCCCC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H22ClFN2O3/c1-3-4-5-6-19(25)23-14-8-10-18(27-2)17(12-14)24-20(26)15-9-7-13(21)11-16(15)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIUNHQDAVHPHBAT-UHFFFAOYSA-N
XLogP5.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55945591
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
CID 35363899
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
CID 55888660
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide (CID 55890582) is 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide is CCCCCC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide?
The InChIKey is IUNHQDAVHPHBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-3-4-5-6-19(25)23-14-8-10-18(27-2)17(12-14)24-20(26)15-9-7-13(21)11-16(15)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide?
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide has a molecular weight of 392.86 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 55890582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).