3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea

C16H16Cl2N2O — CID 3539470

IUPAC3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(2)20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h3-11H,1-2H3,(H,19,21)
InChIKeyFZXNKUXTHDNZEH-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.44
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea

3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea (PubChem CID 3539470) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
PubChem CID3539470
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(2)20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h3-11H,1-2H3,(H,19,21)
InChIKeyFZXNKUXTHDNZEH-UHFFFAOYSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953239
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822338
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea (CID 3539470) is 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea?
The InChIKey is FZXNKUXTHDNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11(2)20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h3-11H,1-2H3,(H,19,21).
What are the key properties of 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea?
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea has a molecular weight of 323.22 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 3539470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).