3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea

C16H17ClN2O — CID 108897659

IUPAC3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-2-19(14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyXIKKJKATVZSGEF-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.08
Rot. Bonds4

About 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea

3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea (PubChem CID 108897659) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
PubChem CID108897659
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-2-19(14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyXIKKJKATVZSGEF-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109170820
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
2-[2-[[[ethyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81317762

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea (CID 108897659) is 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea is CCN(C(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea?
The InChIKey is XIKKJKATVZSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-19(14-9-4-3-5-10-14)16(20)18-12-13-8-6-7-11-15(13)17/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea?
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea has a molecular weight of 288.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 108897659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).