N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide

C17H21F3N2O3 — CID 143825461

IUPACN-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)N(C)C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3/c1-22(11-6-4-3-5-7-11)16(24)21-15(23)13-9-8-12(25-2)10-14(13)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,23,24)
InChIKeyOGMMAGDNSDOYER-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.83
Rot. Bonds3

About N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide

N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 143825461) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide
PubChem CID143825461
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)N(C)C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3/c1-22(11-6-4-3-5-7-11)16(24)21-15(23)13-9-8-12(25-2)10-14(13)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,23,24)
InChIKeyOGMMAGDNSDOYER-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylcarbamoyl)-4-methoxy-2-(trifluoromethyl)benzamide
CID 143825373
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
1-[4-methoxy-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 130319279
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 69478072
CID 159051946
CID 159051946
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487209
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide (CID 143825461) is N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide is COc1ccc(C(=O)NC(=O)N(C)C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is OGMMAGDNSDOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-22(11-6-4-3-5-7-11)16(24)21-15(23)13-9-8-12(25-2)10-14(13)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,23,24).
What are the key properties of N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide?
N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 358.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 143825461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).