1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea

C14H21FN2O4 — CID 124888440

IUPAC1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](CO)NC(=O)Nc1ccc(F)cc1COC
InChIInChI=1S/C14H21FN2O4/c1-20-6-5-12(8-18)16-14(19)17-13-4-3-11(15)7-10(13)9-21-2/h3-4,7,12,18H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t12-/m1/s1
InChIKeyWNWXORIXBVSYEL-GFCCVEGCSA-N
MW300.33 g/mol
LogP1.49
Rot. Bonds8

About 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea

1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea (PubChem CID 124888440) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
PubChem CID124888440
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](CO)NC(=O)Nc1ccc(F)cc1COC
InChIInChI=1S/C14H21FN2O4/c1-20-6-5-12(8-18)16-14(19)17-13-4-3-11(15)7-10(13)9-21-2/h3-4,7,12,18H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t12-/m1/s1
InChIKeyWNWXORIXBVSYEL-GFCCVEGCSA-N
XLogP1.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62474332
1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
CID 124851471
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 82683479
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107530131
1-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-3-[(2S)-1-hydroxy-4-methoxybutan-2-yl]urea
CID 129359140
1-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
CID 129359139
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea?
The IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea (CID 124888440) is 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea.
What is the SMILES notation for 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea?
The canonical SMILES for 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea is COCC[C@H](CO)NC(=O)Nc1ccc(F)cc1COC.
What is the InChIKey of 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea?
The InChIKey is WNWXORIXBVSYEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-20-6-5-12(8-18)16-14(19)17-13-4-3-11(15)7-10(13)9-21-2/h3-4,7,12,18H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t12-/m1/s1.
What are the key properties of 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea?
1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea has a molecular weight of 300.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methoxymethyl)phenyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea is sourced from PubChem (CID 124888440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).