4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride

C20H24ClFN2O — CID 119295925

IUPAC4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C20H23FN2O.ClH/c21-18-11-9-16(10-12-18)19(15-3-1-2-4-15)23-20(24)17-7-5-14(13-22)6-8-17;/h5-12,15,19H,1-4,13,22H2,(H,23,24);1H
InChIKeyPNBSABHSJGHZKT-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.37
Rot. Bonds5

About 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride (PubChem CID 119295925) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
PubChem CID119295925
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C20H23FN2O.ClH/c21-18-11-9-16(10-12-18)19(15-3-1-2-4-15)23-20(24)17-7-5-14(13-22)6-8-17;/h5-12,15,19H,1-4,13,22H2,(H,23,24);1H
InChIKeyPNBSABHSJGHZKT-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
CID 60573918
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
CID 119336431
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide
CID 119336432
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride (CID 119295925) is 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NC(c2ccc(F)cc2)C2CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride?
The InChIKey is PNBSABHSJGHZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.ClH/c21-18-11-9-16(10-12-18)19(15-3-1-2-4-15)23-20(24)17-7-5-14(13-22)6-8-17;/h5-12,15,19H,1-4,13,22H2,(H,23,24);1H.
What are the key properties of 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119295925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).