1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea

C11H15ClN2O — CID 47306890

IUPAC1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(14(3)11(15)13-2)9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H,13,15)
InChIKeyNCCKPSBPSCCOPP-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.67
Rot. Bonds2

About 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea

1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea (PubChem CID 47306890) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
PubChem CID47306890
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(14(3)11(15)13-2)9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H,13,15)
InChIKeyNCCKPSBPSCCOPP-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
(2S)-3-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 107839811
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 86856226
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617062
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea (CID 47306890) is 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea is CNC(=O)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea?
The InChIKey is NCCKPSBPSCCOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(14(3)11(15)13-2)9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H,13,15).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea?
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea has a molecular weight of 226.71 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea is sourced from PubChem (CID 47306890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).