1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea

C15H16ClN3O — CID 63120342

IUPAC1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
SMILESNC(CNC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-12-8-4-5-9-14(12)19-15(20)18-10-13(17)11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H2,18,19,20)
InChIKeyCWJCFGGLARSQNW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea

1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea (PubChem CID 63120342) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
PubChem CID63120342
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
SMILESNC(CNC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-12-8-4-5-9-14(12)19-15(20)18-10-13(17)11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H2,18,19,20)
InChIKeyCWJCFGGLARSQNW-UHFFFAOYSA-N
XLogP3.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
1-[(2S)-2-amino-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67941886
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea (CID 63120342) is 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea is NC(CNC(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea?
The InChIKey is CWJCFGGLARSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-8-4-5-9-14(12)19-15(20)18-10-13(17)11-6-2-1-3-7-11/h1-9,13H,10,17H2,(H2,18,19,20).
What are the key properties of 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea?
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 63120342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).