1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea

C17H19ClN2O — CID 27533879

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
SMILESCN(Cc1ccccc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(13-15-9-5-6-10-16(15)18)17(21)19-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyNXAVSPKDWGTNHH-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea

1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea (PubChem CID 27533879) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
PubChem CID27533879
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
SMILESCN(Cc1ccccc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(13-15-9-5-6-10-16(15)18)17(21)19-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyNXAVSPKDWGTNHH-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
CID 112838134
2-[[2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61414920
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
CID 55589948
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192
2-[[[2-(2-chlorophenyl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751609
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55578637
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61414825
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea (CID 27533879) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea is CN(Cc1ccccc1Cl)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea?
The InChIKey is NXAVSPKDWGTNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(13-15-9-5-6-10-16(15)18)17(21)19-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea has a molecular weight of 302.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 27533879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).