3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide

C21H22F2N2O2 — CID 60573918

IUPAC3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)ccc1F
InChIInChI=1S/C21H22F2N2O2/c1-13(26)24-19-12-16(8-11-18(19)23)21(27)25-20(14-4-2-3-5-14)15-6-9-17(22)10-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,26)(H,25,27)
InChIKeyLIKAMZDSWQRTCX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.58
Rot. Bonds5

About 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide

3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide (PubChem CID 60573918) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
PubChem CID60573918
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)ccc1F
InChIInChI=1S/C21H22F2N2O2/c1-13(26)24-19-12-16(8-11-18(19)23)21(27)25-20(14-4-2-3-5-14)15-6-9-17(22)10-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,26)(H,25,27)
InChIKeyLIKAMZDSWQRTCX-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 42962369
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
CID 41198922
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892089
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide (CID 60573918) is 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide is CC(=O)Nc1cc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)ccc1F.
What is the InChIKey of 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is LIKAMZDSWQRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13(26)24-19-12-16(8-11-18(19)23)21(27)25-20(14-4-2-3-5-14)15-6-9-17(22)10-7-15/h6-12,14,20H,2-5H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide?
3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide has a molecular weight of 372.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 60573918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).