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

C18H21ClN2O2 — CID 113216506

IUPAC1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-12-5-8-14(11-16(12)19)20-17(22)21-18(2,3)13-6-9-15(23-4)10-7-13/h5-11H,1-4H3,(H2,20,21,22)
InChIKeyZJCQJNVGFCGQNZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.71
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216506) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216506
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-12-5-8-14(11-16(12)19)20-17(22)21-18(2,3)13-6-9-15(23-4)10-7-13/h5-11H,1-4H3,(H2,20,21,22)
InChIKeyZJCQJNVGFCGQNZ-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 17298469
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
2-[(3-chloro-4-methylphenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790048
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216560

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216506) is 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is ZJCQJNVGFCGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-5-8-14(11-16(12)19)20-17(22)21-18(2,3)13-6-9-15(23-4)10-7-13/h5-11H,1-4H3,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.71, 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-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).