1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea

C16H17ClN2O — CID 580681

IUPAC1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-18(12-13-8-10-14(17)11-9-13)16(20)19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyTWQAQCJAKGXMEJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.03
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea

1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea (PubChem CID 580681) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
PubChem CID580681
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-18(12-13-8-10-14(17)11-9-13)16(20)19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyTWQAQCJAKGXMEJ-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
CID 70531059
1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
CID 102415940
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79284003
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea (CID 580681) is 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea is CN(Cc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea?
The InChIKey is TWQAQCJAKGXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18(12-13-8-10-14(17)11-9-13)16(20)19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea?
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea has a molecular weight of 288.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea is sourced from PubChem (CID 580681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).