1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea

C10H13ClN2O — CID 131998616

IUPAC1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(Cl)c(C)c1
InChIInChI=1S/C10H13ClN2O/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyYEUTYPHQDPKSHS-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.08
Rot. Bonds2

About 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea

1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea (PubChem CID 131998616) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
PubChem CID131998616
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(Cl)c(C)c1
InChIInChI=1S/C10H13ClN2O/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyYEUTYPHQDPKSHS-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
CID 165120065
1-[(4-chloro-3-methylphenyl)methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 75521780
3-[(4-chloro-3-methylphenyl)methyl]-1-(2-hydroxypropyl)-1-methylurea
CID 84599981
2-[(4-chloro-3-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977329
1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
CID 75521301
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356
ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 142017066
1-[(4-chloro-3-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 165484489
(2S)-2-[(4-chloro-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120510685
1-benzyl-3-methylurea;ethane
CID 90763782

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea (CID 131998616) is 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea is CNC(=O)NCc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea?
The InChIKey is YEUTYPHQDPKSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2/h3-5H,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea?
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea has a molecular weight of 212.68 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea is sourced from PubChem (CID 131998616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).