1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C17H21FN2O4 — CID 97225040

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1
InChIInChI=1S/C17H21FN2O4/c1-3-23-16-10-12(18)6-7-13(16)20-17(22)19-11(2)9-14(21)15-5-4-8-24-15/h4-8,10-11,14,21H,3,9H2,1-2H3,(H2,19,20,22)/t11-,14+/m0/s1
InChIKeyMWDHIIKZBAGGFU-SMDDNHRTSA-N
MW336.36 g/mol
LogP3.45
Rot. Bonds7

About 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 97225040) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
PubChem CID97225040
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1
InChIInChI=1S/C17H21FN2O4/c1-3-23-16-10-12(18)6-7-13(16)20-17(22)19-11(2)9-14(21)15-5-4-8-24-15/h4-8,10-11,14,21H,3,9H2,1-2H3,(H2,19,20,22)/t11-,14+/m0/s1
InChIKeyMWDHIIKZBAGGFU-SMDDNHRTSA-N
XLogP3.45
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-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

1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea
CID 48788201

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 97225040) is 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is CCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The InChIKey is MWDHIIKZBAGGFU-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-3-23-16-10-12(18)6-7-13(16)20-17(22)19-11(2)9-14(21)15-5-4-8-24-15/h4-8,10-11,14,21H,3,9H2,1-2H3,(H2,19,20,22)/t11-,14+/m0/s1.
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 336.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 97225040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).