1,3-bis[(3-chlorophenyl)methyl]urea

C15H14Cl2N2O — CID 2545658

IUPAC1,3-bis[(3-chlorophenyl)methyl]urea
SMILESO=C(NCc1cccc(Cl)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-5-1-3-11(7-13)9-18-15(20)19-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyQOKBRBQCCXTRQN-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.99
Rot. Bonds4

About 1,3-bis[(3-chlorophenyl)methyl]urea

1,3-bis[(3-chlorophenyl)methyl]urea (PubChem CID 2545658) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1,3-bis[(3-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1,3-bis[(3-chlorophenyl)methyl]urea
PubChem CID2545658
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1,3-bis[(3-chlorophenyl)methyl]urea
SMILESO=C(NCc1cccc(Cl)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-5-1-3-11(7-13)9-18-15(20)19-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyQOKBRBQCCXTRQN-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-chlorophenyl)methyl]urea?
The IUPAC name of 1,3-bis[(3-chlorophenyl)methyl]urea (CID 2545658) is 1,3-bis[(3-chlorophenyl)methyl]urea.
What is the SMILES notation for 1,3-bis[(3-chlorophenyl)methyl]urea?
The canonical SMILES for 1,3-bis[(3-chlorophenyl)methyl]urea is O=C(NCc1cccc(Cl)c1)NCc1cccc(Cl)c1.
What is the InChIKey of 1,3-bis[(3-chlorophenyl)methyl]urea?
The InChIKey is QOKBRBQCCXTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-13-5-1-3-11(7-13)9-18-15(20)19-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1,3-bis[(3-chlorophenyl)methyl]urea?
1,3-bis[(3-chlorophenyl)methyl]urea has a molecular weight of 309.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3-chlorophenyl)methyl]urea is sourced from PubChem (CID 2545658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).