1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea

C12H17ClN2O3 — CID 113240168

IUPAC1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
SMILESCOCC(CCO)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-11(6-7-16)15-12(17)14-10-4-2-9(13)3-5-10/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyDZGVRQKVUVIFCQ-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.86
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea

1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea (PubChem CID 113240168) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
PubChem CID113240168
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
SMILESCOCC(CCO)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-11(6-7-16)15-12(17)14-10-4-2-9(13)3-5-10/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyDZGVRQKVUVIFCQ-UHFFFAOYSA-N
XLogP1.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159836
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
2-fluoro-4-(1-methoxypentan-2-ylcarbamoylamino)benzoic acid
CID 107796311
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159602
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
CID 70346476

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea (CID 113240168) is 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea is COCC(CCO)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea?
The InChIKey is DZGVRQKVUVIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-8-11(6-7-16)15-12(17)14-10-4-2-9(13)3-5-10/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea?
1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea has a molecular weight of 272.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea is sourced from PubChem (CID 113240168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).