1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide

C20H28F2N2O — CID 153338458

IUPAC1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C20H28F2N2O/c21-16-7-8-17(18(22)13-16)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25)
InChIKeyVFGMINFUQAVQST-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.02
Rot. Bonds6

About 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide

1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide (PubChem CID 153338458) has the molecular formula C20H28F2N2O and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
PubChem CID153338458
Molecular FormulaC20H28F2N2O
Molecular Weight350.45 g/mol
Exact Mass350.22
IUPAC Name1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C20H28F2N2O/c21-16-7-8-17(18(22)13-16)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25)
InChIKeyVFGMINFUQAVQST-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Diphenylpropylamino)acetamide
CID 6603827
(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 9884543
Phenylalanine derived inhibitor, 4
CID 23647692
(2S)-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895750
(2S,3S)-3-[4-(2-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895817
(2S,3S)-3-[4-(3,5-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895836
(2S,3S)-3-[4-(2,5-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895837
(2S,3S)-3-[4-(3,4-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895838
(2S,3S)-3-[4-(2,4-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895839
(S)-4-methyl-2-(methylamino)pentanoic acid [4,4-bis(4-fluorophenyl)butyl]amide hydrochloride
CID 9823702
N-(cyanomethyl)-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide
CID 11594784
(2S)-2-amino-N-[(2S)-1-amino-3-(3-fluorophenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 44611294

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide (CID 153338458) is 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1.
What is the InChIKey of 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The InChIKey is VFGMINFUQAVQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O/c21-16-7-8-17(18(22)13-16)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25).
What are the key properties of 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 153338458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).