1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H16BrF3N2O — CID 64755712

IUPAC1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16BrF3N2O/c15-10-2-1-3-11(8-10)20-13(12(19)21)6-4-9(5-7-13)14(16,17)18/h1-3,8-9,20H,4-7H2,(H2,19,21)
InChIKeyWNQCWQKYRXJGIT-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide

1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 64755712) has the molecular formula C14H16BrF3N2O and a molecular weight of 365.19 g/mol. Its IUPAC name is 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID64755712
Molecular FormulaC14H16BrF3N2O
Molecular Weight365.19 g/mol
Exact Mass364.04
IUPAC Name1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16BrF3N2O/c15-10-2-1-3-11(8-10)20-13(12(19)21)6-4-9(5-7-13)14(16,17)18/h1-3,8-9,20H,4-7H2,(H2,19,21)
InChIKeyWNQCWQKYRXJGIT-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64755334
3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
ethyl 1-(3-bromoanilino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64747242
1-(3-methylanilino)-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758435
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
4-(3-fluoroanilino)thiane-4-carboxamide
CID 61319216
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 64755712) is 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)C1(Nc2cccc(Br)c2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WNQCWQKYRXJGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N2O/c15-10-2-1-3-11(8-10)20-13(12(19)21)6-4-9(5-7-13)14(16,17)18/h1-3,8-9,20H,4-7H2,(H2,19,21).
What are the key properties of 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 365.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64755712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).