1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea

C16H16Cl2N2O — CID 42609411

IUPAC1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
SMILESCc1ccc(Cl)cc1CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11-5-6-15(18)8-13(11)10-20-16(21)19-9-12-3-2-4-14(17)7-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyIURBDDHTDCDIRT-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.30
Rot. Bonds4

About 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea

1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea (PubChem CID 42609411) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
PubChem CID42609411
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
SMILESCc1ccc(Cl)cc1CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11-5-6-15(18)8-13(11)10-20-16(21)19-9-12-3-2-4-14(17)7-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyIURBDDHTDCDIRT-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
3-[(3-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428746
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea?
The IUPAC name of 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea (CID 42609411) is 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea?
The canonical SMILES for 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea is Cc1ccc(Cl)cc1CNC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea?
The InChIKey is IURBDDHTDCDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-5-6-15(18)8-13(11)10-20-16(21)19-9-12-3-2-4-14(17)7-12/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea?
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea has a molecular weight of 323.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea is sourced from PubChem (CID 42609411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).