4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C14H16ClF3N2O — CID 116699700

IUPAC4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16ClF3N2O/c15-10-5-9(14(16,17)18)6-12(7-10)20-13(21)8-1-3-11(19)4-2-8/h5-8,11H,1-4,19H2,(H,20,21)
InChIKeyHUSNJWLVQLODDJ-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.81
Rot. Bonds2

About 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 116699700) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID116699700
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16ClF3N2O/c15-10-5-9(14(16,17)18)6-12(7-10)20-13(21)8-1-3-11(19)4-2-8/h5-8,11H,1-4,19H2,(H,20,21)
InChIKeyHUSNJWLVQLODDJ-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 116699756
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
CID 116699040
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 116699700) is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is HUSNJWLVQLODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-10-5-9(14(16,17)18)6-12(7-10)20-13(21)8-1-3-11(19)4-2-8/h5-8,11H,1-4,19H2,(H,20,21).
What are the key properties of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 116699700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).