4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide

C22H24ClFN2O3 — CID 55890068

IUPAC4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H24ClFN2O3/c1-29-20-10-8-16(25-21(27)11-6-14-4-2-3-5-14)13-19(20)26-22(28)17-9-7-15(23)12-18(17)24/h7-10,12-14H,2-6,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyRPJMIEJXPIMRPS-UHFFFAOYSA-N
MW418.90 g/mol
LogP5.65
Rot. Bonds7

About 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide

4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide (PubChem CID 55890068) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
PubChem CID55890068
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC Name4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H24ClFN2O3/c1-29-20-10-8-16(25-21(27)11-6-14-4-2-3-5-14)13-19(20)26-22(28)17-9-7-15(23)12-18(17)24/h7-10,12-14H,2-6,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyRPJMIEJXPIMRPS-UHFFFAOYSA-N
XLogP5.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.90
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
4-chloro-N-[5-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55945591
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
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-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-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide (CID 55890068) is 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide is COc1ccc(NC(=O)CCC2CCCC2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide?
The InChIKey is RPJMIEJXPIMRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c1-29-20-10-8-16(25-21(27)11-6-14-4-2-3-5-14)13-19(20)26-22(28)17-9-7-15(23)12-18(17)24/h7-10,12-14H,2-6,11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide?
4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide has a molecular weight of 418.90 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide is sourced from PubChem (CID 55890068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).