1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea

C15H15ClN2O — CID 2982210

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-2-8-14(9-3-11)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyPDPJJAAPBLSLST-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.97
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 2982210) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
PubChem CID2982210
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-2-8-14(9-3-11)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyPDPJJAAPBLSLST-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea (CID 2982210) is 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is PDPJJAAPBLSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-2-8-14(9-3-11)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 274.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 2982210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).