1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea

C11H15ClN2O — CID 23548600

IUPAC1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(2)14-11(15)13-7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyOEWGYMDQGKPGTL-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.55
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea

1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea (PubChem CID 23548600) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
PubChem CID23548600
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(2)14-11(15)13-7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyOEWGYMDQGKPGTL-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 42924591
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate
CID 7560115

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea (CID 23548600) is 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea?
The InChIKey is OEWGYMDQGKPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(2)14-11(15)13-7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea?
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea has a molecular weight of 226.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 23548600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).