2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide

C21H25FN2O — CID 4847563

IUPAC2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCN(C1CCCCC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyXKUDNSUBTMRNDU-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.77
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide

2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 4847563) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID4847563
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCN(C1CCCCC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyXKUDNSUBTMRNDU-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752
cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8009103
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
CID 56580229
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23095705
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 4847563) is 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide is CN(C1CCCCC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is XKUDNSUBTMRNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 340.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 4847563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).