1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

C23H28FN3O2 — CID 55961922

IUPAC1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-11-5-17(6-12-20)15-25-21(28)23(13-3-4-14-23)18-7-9-19(24)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyIKKLHGBYATULFR-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.48
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 55961922) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID55961922
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-11-5-17(6-12-20)15-25-21(28)23(13-3-4-14-23)18-7-9-19(24)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyIKKLHGBYATULFR-UHFFFAOYSA-N
XLogP4.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55962305
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222697
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (CID 55961922) is 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is IKKLHGBYATULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-11-5-17(6-12-20)15-25-21(28)23(13-3-4-14-23)18-7-9-19(24)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55961922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).