(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide

C23H22FN3O2 — CID 51957933

IUPAC(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCCc1ccc(F)cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c24-19-13-11-17(12-14-19)15-16-25-23(29)27-21(18-7-3-1-4-8-18)22(28)26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,26,28)(H2,25,27,29)/t21-/m0/s1
InChIKeyYDPANRRGVZLBGW-NRFANRHFSA-N
MW391.45 g/mol
LogP4.05
Rot. Bonds7

About (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide

(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide (PubChem CID 51957933) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
PubChem CID51957933
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCCc1ccc(F)cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c24-19-13-11-17(12-14-19)15-16-25-23(29)27-21(18-7-3-1-4-8-18)22(28)26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,26,28)(H2,25,27,29)/t21-/m0/s1
InChIKeyYDPANRRGVZLBGW-NRFANRHFSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55913182
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 69267743
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 86900818
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-ethylphenyl)propanamide
CID 55726661
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide (CID 51957933) is (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide is O=C(NCCc1ccc(F)cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The InChIKey is YDPANRRGVZLBGW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-13-11-17(12-14-19)15-16-25-23(29)27-21(18-7-3-1-4-8-18)22(28)26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,26,28)(H2,25,27,29)/t21-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide?
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide has a molecular weight of 391.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 51957933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).