2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide

C22H27FN2O — CID 55896839

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-16-7-5-6-10-20(16)25-21(26)15-24-22(17-8-3-2-4-9-17)18-11-13-19(23)14-12-18/h2-4,8-9,11-14,16,20,22,24H,5-7,10,15H2,1H3,(H,25,26)
InChIKeyWRGXIKHBUNYSJR-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.20
Rot. Bonds6

About 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 55896839) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID55896839
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-16-7-5-6-10-20(16)25-21(26)15-24-22(17-8-3-2-4-9-17)18-11-13-19(23)14-12-18/h2-4,8-9,11-14,16,20,22,24H,5-7,10,15H2,1H3,(H,25,26)
InChIKeyWRGXIKHBUNYSJR-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
CID 96516187
N-[(1S,2S)-2-methylcyclohexyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 11935888
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide (CID 55896839) is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CNC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is WRGXIKHBUNYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-7-5-6-10-20(16)25-21(26)15-24-22(17-8-3-2-4-9-17)18-11-13-19(23)14-12-18/h2-4,8-9,11-14,16,20,22,24H,5-7,10,15H2,1H3,(H,25,26).
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide?
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 354.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 55896839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).