1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea

C15H17FN2O3 — CID 111475577

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-10(19)6-7-17-15(20)18-13-9-11(4-5-12(13)16)14-3-2-8-21-14/h2-5,8-10,19H,6-7H2,1H3,(H2,17,18,20)
InChIKeyNEIBIJWMRKVLHP-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111475577) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111475577
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-10(19)6-7-17-15(20)18-13-9-11(4-5-12(13)16)14-3-2-8-21-14/h2-5,8-10,19H,6-7H2,1H3,(H2,17,18,20)
InChIKeyNEIBIJWMRKVLHP-UHFFFAOYSA-N
XLogP2.98
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111475579
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111475552
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 111475557
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71864929
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99856240
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491156
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111926637

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea (CID 111475577) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is NEIBIJWMRKVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-10(19)6-7-17-15(20)18-13-9-11(4-5-12(13)16)14-3-2-8-21-14/h2-5,8-10,19H,6-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 292.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111475577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).