1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea

C18H17F2N3O2 — CID 94819784

IUPAC1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea
SMILESN#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1
InChIInChI=1S/C18H17F2N3O2/c19-17(20)16(24)15(10-12-5-2-1-3-6-12)23-18(25)22-14-8-4-7-13(9-14)11-21/h1-9,15-17,24H,10H2,(H2,22,23,25)/t15-,16+/m1/s1
InChIKeyGEVLYMZRCLLZJF-CVEARBPZSA-N
MW345.35 g/mol
LogP2.92
Rot. Bonds6

About 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea

1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea (PubChem CID 94819784) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea
PubChem CID94819784
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea
SMILESN#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1
InChIInChI=1S/C18H17F2N3O2/c19-17(20)16(24)15(10-12-5-2-1-3-6-12)23-18(25)22-14-8-4-7-13(9-14)11-21/h1-9,15-17,24H,10H2,(H2,22,23,25)/t15-,16+/m1/s1
InChIKeyGEVLYMZRCLLZJF-CVEARBPZSA-N
XLogP2.92
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
1-(3-cyanophenyl)-3-pent-1-yn-3-ylurea
CID 103578284
2-[(3-cyanophenyl)carbamoylamino]hexanoic acid
CID 43469991
1-(3-cyanophenyl)-3-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]urea
CID 42797901
1-[(1S)-1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-3-(3-cyanophenyl)urea
CID 98426007

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea (CID 94819784) is 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea is N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea?
The InChIKey is GEVLYMZRCLLZJF-CVEARBPZSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-17(20)16(24)15(10-12-5-2-1-3-6-12)23-18(25)22-14-8-4-7-13(9-14)11-21/h1-9,15-17,24H,10H2,(H2,22,23,25)/t15-,16+/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea?
1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea has a molecular weight of 345.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[(2R,3S)-4,4-difluoro-3-hydroxy-1-phenylbutan-2-yl]urea is sourced from PubChem (CID 94819784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).