1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea

C16H15Cl3N2O — CID 17174463

IUPAC1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
SMILESCCC(NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl3N2O/c1-2-13(10-6-8-11(17)9-7-10)20-16(22)21-14-5-3-4-12(18)15(14)19/h3-9,13H,2H2,1H3,(H2,20,21,22)
InChIKeyHEWCXGQDSPQWMY-UHFFFAOYSA-N
MW357.67 g/mol
LogP5.92
Rot. Bonds4

About 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea

1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 17174463) has the molecular formula C16H15Cl3N2O and a molecular weight of 357.67 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
PubChem CID17174463
Molecular FormulaC16H15Cl3N2O
Molecular Weight357.67 g/mol
Exact Mass356.02
IUPAC Name1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
SMILESCCC(NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl3N2O/c1-2-13(10-6-8-11(17)9-7-10)20-16(22)21-14-5-3-4-12(18)15(14)19/h3-9,13H,2H2,1H3,(H2,20,21,22)
InChIKeyHEWCXGQDSPQWMY-UHFFFAOYSA-N
XLogP5.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.67
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 3546923
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea (CID 17174463) is 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea is CCC(NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is HEWCXGQDSPQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O/c1-2-13(10-6-8-11(17)9-7-10)20-16(22)21-14-5-3-4-12(18)15(14)19/h3-9,13H,2H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea?
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 357.67 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 17174463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).