N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide

C22H25FN2O2 — CID 1494005

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2F)CCCCC1
InChIInChI=1S/C22H25FN2O2/c1-15-9-8-10-16(2)19(15)24-21(27)22(13-6-3-7-14-22)25-20(26)17-11-4-5-12-18(17)23/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyLLIBXWVIHJUHEA-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.51
Rot. Bonds4

About N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide (PubChem CID 1494005) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
PubChem CID1494005
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2F)CCCCC1
InChIInChI=1S/C22H25FN2O2/c1-15-9-8-10-16(2)19(15)24-21(27)22(13-6-3-7-14-22)25-20(26)17-11-4-5-12-18(17)23/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyLLIBXWVIHJUHEA-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22777805
N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide
CID 86878946
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
CID 3308582
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
CID 107982246

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide (CID 1494005) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2F)CCCCC1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide?
The InChIKey is LLIBXWVIHJUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15-9-8-10-16(2)19(15)24-21(27)22(13-6-3-7-14-22)25-20(26)17-11-4-5-12-18(17)23/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide has a molecular weight of 368.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide is sourced from PubChem (CID 1494005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).