1,3-bis[(2-chlorophenyl)methyl]urea

C15H14Cl2N2O — CID 623497

IUPAC1,3-bis[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-3-1-5-11(13)9-18-15(20)19-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyNNEWTFYPGINMGI-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.99
Rot. Bonds4

About 1,3-bis[(2-chlorophenyl)methyl]urea

1,3-bis[(2-chlorophenyl)methyl]urea (PubChem CID 623497) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1,3-bis[(2-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1,3-bis[(2-chlorophenyl)methyl]urea
PubChem CID623497
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1,3-bis[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-3-1-5-11(13)9-18-15(20)19-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyNNEWTFYPGINMGI-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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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Lozilurea
CID 68907
Cumyluron
CID 11709249
1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
N-Benzyl-N'-(2-chlorobenzyl)thiourea
CID 7942984
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
[(2-Chlorophenyl)methyl]urea
CID 1484506
N-(4-chlorobenzyl)urea
CID 1484508

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-chlorophenyl)methyl]urea?
The IUPAC name of 1,3-bis[(2-chlorophenyl)methyl]urea (CID 623497) is 1,3-bis[(2-chlorophenyl)methyl]urea.
What is the SMILES notation for 1,3-bis[(2-chlorophenyl)methyl]urea?
The canonical SMILES for 1,3-bis[(2-chlorophenyl)methyl]urea is O=C(NCc1ccccc1Cl)NCc1ccccc1Cl.
What is the InChIKey of 1,3-bis[(2-chlorophenyl)methyl]urea?
The InChIKey is NNEWTFYPGINMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-13-7-3-1-5-11(13)9-18-15(20)19-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1,3-bis[(2-chlorophenyl)methyl]urea?
1,3-bis[(2-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[(2-chlorophenyl)methyl]urea is sourced from PubChem (CID 623497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).