1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea

C15H15ClN2O — CID 22459222

IUPAC1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-13-8-6-12(10-16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyIHGXANMVJJIKHL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.38
Rot. Bonds3

About 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea

1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 22459222) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
PubChem CID22459222
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-13-8-6-12(10-16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyIHGXANMVJJIKHL-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
2-chloro-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
CID 141036417
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate
CID 11145392
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
ethane;4-[4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]butanoic acid
CID 158565668
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea (CID 22459222) is 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(CCl)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is IHGXANMVJJIKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-13-8-6-12(10-16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea?
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 274.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 22459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).