1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea

C17H19ClN2O — CID 108891006

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-6-8-14(9-7-13)10-11-19-17(21)20-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyNQRGURCAGYELBU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.69
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891006) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891006
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-6-8-14(9-7-13)10-11-19-17(21)20-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyNQRGURCAGYELBU-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108891006) is 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is NQRGURCAGYELBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-6-8-14(9-7-13)10-11-19-17(21)20-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 302.81 g/mol, XLogP of 3.69, 5 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-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).