(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide

C20H23FN2O — CID 40632646

IUPAC(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c21-16-11-13-18(14-12-16)23-20(24)19(15-7-3-1-4-8-15)22-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,22H,2,5-6,9-10H2,(H,23,24)/t19-/m0/s1
InChIKeyAVCFCIONZNYWDA-IBGZPJMESA-N
MW326.42 g/mol
LogP4.43
Rot. Bonds5

About (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide

(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 40632646) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID40632646
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c21-16-11-13-18(14-12-16)23-20(24)19(15-7-3-1-4-8-15)22-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,22H,2,5-6,9-10H2,(H,23,24)/t19-/m0/s1
InChIKeyAVCFCIONZNYWDA-IBGZPJMESA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8773946
(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
CID 40624932
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8009103
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4847563
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
CID 2440712
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23095705
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 98430928
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
CID 72705119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide (CID 40632646) is (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@@H](NC1CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is AVCFCIONZNYWDA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O/c21-16-11-13-18(14-12-16)23-20(24)19(15-7-3-1-4-8-15)22-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,22H,2,5-6,9-10H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide?
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 326.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 40632646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).