2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide

C15H23F3N2O2 — CID 75502548

IUPAC2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)10-6-4-9(5-7-10)8-13(21)20-12-3-1-2-11(12)14(19)22/h9-12H,1-8H2,(H2,19,22)(H,20,21)
InChIKeyYITVHFNAKMWWIA-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.52
Rot. Bonds4

About 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide

2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 75502548) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide
PubChem CID75502548
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)10-6-4-9(5-7-10)8-13(21)20-12-3-1-2-11(12)14(19)22/h9-12H,1-8H2,(H2,19,22)(H,20,21)
InChIKeyYITVHFNAKMWWIA-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53511040
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
CID 97353412
2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
CID 22090837
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
CID 54490474
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
CID 58331669
2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62776131
cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide
CID 89053077
cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486996
(1R,2S)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486998
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
CID 90155064

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide (CID 75502548) is 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is YITVHFNAKMWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c16-15(17,18)10-6-4-9(5-7-10)8-13(21)20-12-3-1-2-11(12)14(19)22/h9-12H,1-8H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide?
2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75502548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).