1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea

C17H18Cl2N2O2 — CID 113216338

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
SMILESCOc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-17(2,11-4-6-12(18)7-5-11)21-16(22)20-13-8-9-15(23-3)14(19)10-13/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyYOFZXHAKNMMZOZ-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.06
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea

1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea (PubChem CID 113216338) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
PubChem CID113216338
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
SMILESCOc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-17(2,11-4-6-12(18)7-5-11)21-16(22)20-13-8-9-15(23-3)14(19)10-13/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyYOFZXHAKNMMZOZ-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 74235615
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea (CID 113216338) is 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea is COc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea?
The InChIKey is YOFZXHAKNMMZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-17(2,11-4-6-12(18)7-5-11)21-16(22)20-13-8-9-15(23-3)14(19)10-13/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea has a molecular weight of 353.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea is sourced from PubChem (CID 113216338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).