1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea

C14H21FN2O2 — CID 99856761

IUPAC1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCC[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-3-13(9-18)17-14(19)16-10(2)7-11-5-4-6-12(15)8-11/h4-6,8,10,13,18H,3,7,9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1
InChIKeySOUMGDMJUFITMU-GWCFXTLKSA-N
MW268.33 g/mol
LogP1.83
Rot. Bonds6

About 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea

1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea (PubChem CID 99856761) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
PubChem CID99856761
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCC[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-3-13(9-18)17-14(19)16-10(2)7-11-5-4-6-12(15)8-11/h4-6,8,10,13,18H,3,7,9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1
InChIKeySOUMGDMJUFITMU-GWCFXTLKSA-N
XLogP1.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111455614
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea (CID 99856761) is 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea is CC[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccc(F)c1.
What is the InChIKey of 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
The InChIKey is SOUMGDMJUFITMU-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-13(9-18)17-14(19)16-10(2)7-11-5-4-6-12(15)8-11/h4-6,8,10,13,18H,3,7,9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1.
What are the key properties of 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea?
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea has a molecular weight of 268.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 99856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).