1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C15H16ClFN2O3 — CID 111472987

IUPAC1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccc(Cl)cc2F)o1
InChIInChI=1S/C15H16ClFN2O3/c1-9-3-6-13(22-9)15(2,21)8-18-14(20)19-12-5-4-10(16)7-11(12)17/h3-7,21H,8H2,1-2H3,(H2,18,19,20)
InChIKeyNNFXLUCUCIOKKH-UHFFFAOYSA-N
MW326.76 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111472987) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111472987
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.76 g/mol
Exact Mass326.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccc(Cl)cc2F)o1
InChIInChI=1S/C15H16ClFN2O3/c1-9-3-6-13(22-9)15(2,21)8-18-14(20)19-12-5-4-10(16)7-11(12)17/h3-7,21H,8H2,1-2H3,(H2,18,19,20)
InChIKeyNNFXLUCUCIOKKH-UHFFFAOYSA-N
XLogP3.41
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473863
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-(5-cyano-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474375
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490885
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111472987) is 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)Nc2ccc(Cl)cc2F)o1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is NNFXLUCUCIOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-9-3-6-13(22-9)15(2,21)8-18-14(20)19-12-5-4-10(16)7-11(12)17/h3-7,21H,8H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 326.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111472987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).