1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea

C16H25FN2O2 — CID 111505163

IUPAC1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(Cc1ccccc1F)NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)15(20)8-9-18-16(21)19-12(3)10-13-6-4-5-7-14(13)17/h4-7,11-12,15,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyMICWIZQFBYFLKS-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.46
Rot. Bonds7

About 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea

1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea (PubChem CID 111505163) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
PubChem CID111505163
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(Cc1ccccc1F)NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)15(20)8-9-18-16(21)19-12(3)10-13-6-4-5-7-14(13)17/h4-7,11-12,15,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyMICWIZQFBYFLKS-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
1-[1-(2-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505160
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea (CID 111505163) is 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea is CC(Cc1ccccc1F)NC(=O)NCCC(O)C(C)C.
What is the InChIKey of 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea?
The InChIKey is MICWIZQFBYFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)15(20)8-9-18-16(21)19-12(3)10-13-6-4-5-7-14(13)17/h4-7,11-12,15,20H,8-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea?
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea has a molecular weight of 296.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111505163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).