2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide

C22H27FN2O — CID 138058581

IUPAC2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCN(CCc1ccccc1F)C(=O)c1ccccc1NC1CCCCC1
InChIInChI=1S/C22H27FN2O/c1-25(16-15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)24-18-10-3-2-4-11-18/h5-9,12-14,18,24H,2-4,10-11,15-16H2,1H3
InChIKeyLWHREGRMLRGLQJ-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.89
Rot. Bonds6

About 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide

2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 138058581) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide
PubChem CID138058581
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCN(CCc1ccccc1F)C(=O)c1ccccc1NC1CCCCC1
InChIInChI=1S/C22H27FN2O/c1-25(16-15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)24-18-10-3-2-4-11-18/h5-9,12-14,18,24H,2-4,10-11,15-16H2,1H3
InChIKeyLWHREGRMLRGLQJ-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187422
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
N,N-dimethyl-2-(thian-4-ylamino)benzamide
CID 43738379
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide (CID 138058581) is 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide is CN(CCc1ccccc1F)C(=O)c1ccccc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is LWHREGRMLRGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-25(16-15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)24-18-10-3-2-4-11-18/h5-9,12-14,18,24H,2-4,10-11,15-16H2,1H3.
What are the key properties of 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide?
2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 138058581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).