1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea

C10H12Cl2N2O2 — CID 43417317

IUPAC1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-7-2-3-8(11)9(12)4-7/h2-4,6,15H,5H2,1H3,(H2,13,14,16)
InChIKeyBPYAQISMHRJFOH-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.50
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea

1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 43417317) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID43417317
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-7-2-3-8(11)9(12)4-7/h2-4,6,15H,5H2,1H3,(H2,13,14,16)
InChIKeyBPYAQISMHRJFOH-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110908088
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111617573
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea (CID 43417317) is 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is BPYAQISMHRJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6(5-15)13-10(16)14-7-2-3-8(11)9(12)4-7/h2-4,6,15H,5H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 263.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 43417317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).