4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide

C14H17F3N2O2 — CID 60848453

IUPAC4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-3-1-2-11(8-12)19-13(20)9-4-6-10(18)7-5-9/h1-3,8-10H,4-7,18H2,(H,19,20)
InChIKeyKZPYCGIKKLZBTF-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.04
Rot. Bonds3

About 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide

4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 60848453) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID60848453
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-3-1-2-11(8-12)19-13(20)9-4-6-10(18)7-5-9/h1-3,8-10H,4-7,18H2,(H,19,20)
InChIKeyKZPYCGIKKLZBTF-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 38260168
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 71125129
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide (CID 60848453) is 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is KZPYCGIKKLZBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-3-1-2-11(8-12)19-13(20)9-4-6-10(18)7-5-9/h1-3,8-10H,4-7,18H2,(H,19,20).
What are the key properties of 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60848453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).