3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea

C17H19ClN2O — CID 4986373

IUPAC3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-7-6-10-15(18)16(13)19-17(21)20(2)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyZCDHLGONBWOQSL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.35
Rot. Bonds4

About 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea

3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 4986373) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID4986373
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-7-6-10-15(18)16(13)19-17(21)20(2)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyZCDHLGONBWOQSL-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
2-[(2-chloro-6-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 66253516
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 3060889
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
CID 20543686
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
CID 138398477

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea (CID 4986373) is 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea is Cc1cccc(Cl)c1NC(=O)N(C)CCc1ccccc1.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is ZCDHLGONBWOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-7-6-10-15(18)16(13)19-17(21)20(2)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea?
3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 302.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 4986373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).