N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide

C29H31FN2O2 — CID 46052623

IUPACN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C29H31FN2O2/c1-31(20-23-8-3-2-4-9-23)28(33)19-22-14-16-27(17-15-22)32(29(34)25-11-5-6-12-25)21-24-10-7-13-26(30)18-24/h2-4,7-10,13-18,25H,5-6,11-12,19-21H2,1H3
InChIKeyQZTUFISSRSOAFG-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.75
Rot. Bonds8

About N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide (PubChem CID 46052623) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
PubChem CID46052623
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C29H31FN2O2/c1-31(20-23-8-3-2-4-9-23)28(33)19-22-14-16-27(17-15-22)32(29(34)25-11-5-6-12-25)21-24-10-7-13-26(30)18-24/h2-4,7-10,13-18,25H,5-6,11-12,19-21H2,1H3
InChIKeyQZTUFISSRSOAFG-UHFFFAOYSA-N
XLogP5.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-methylbutanamide
CID 46052576
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46045906
N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 42859503
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046802
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide (CID 46052623) is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide is CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is QZTUFISSRSOAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O2/c1-31(20-23-8-3-2-4-9-23)28(33)19-22-14-16-27(17-15-22)32(29(34)25-11-5-6-12-25)21-24-10-7-13-26(30)18-24/h2-4,7-10,13-18,25H,5-6,11-12,19-21H2,1H3.
What are the key properties of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide?
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 458.58 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46052623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).