1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea

C16H17ClN2O — CID 108899206

IUPAC1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20)
InChIKeySHVHNOFZWNRWON-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.90
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea

1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea (PubChem CID 108899206) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
PubChem CID108899206
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20)
InChIKeySHVHNOFZWNRWON-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
3-[(4-chlorophenyl)methylcarbamoylamino]butanoic acid
CID 61192554
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea (CID 108899206) is 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea?
The InChIKey is SHVHNOFZWNRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea?
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea has a molecular weight of 288.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 108899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).