3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea

C12H17ClN2O — CID 21430064

IUPAC3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-9(2)8-15(3)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyXMKVPVYDNZBOAC-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.46
Rot. Bonds3

About 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea

3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea (PubChem CID 21430064) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
PubChem CID21430064
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-9(2)8-15(3)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyXMKVPVYDNZBOAC-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
1-[4-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115914141
1-but-2-ynyl-3-(4-chlorophenyl)-1-methylurea
CID 70628817
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
3-(4-chlorophenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
CID 3723720
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
3-(4-chlorophenyl)-1,1-bis(2-methylpropyl)thiourea
CID 2386179
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea (CID 21430064) is 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea is CC(C)CN(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The InChIKey is XMKVPVYDNZBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(2)8-15(3)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea has a molecular weight of 240.73 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 21430064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).