1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea

C19H23ClN2O2 — CID 17298469

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-12-6-8-14(11-15(12)20)21-18(23)22-16-10-13(19(2,3)4)7-9-17(16)24-5/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyNHSYOEMUHPMNCI-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.60
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea

1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 17298469) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID17298469
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-12-6-8-14(11-15(12)20)21-18(23)22-16-10-13(19(2,3)4)7-9-17(16)24-5/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyNHSYOEMUHPMNCI-UHFFFAOYSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea (CID 17298469) is 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea is COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is NHSYOEMUHPMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12-6-8-14(11-15(12)20)21-18(23)22-16-10-13(19(2,3)4)7-9-17(16)24-5/h6-11H,1-5H3,(H2,21,22,23).
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 346.86 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 17298469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).