1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

C19H23ClN2O4 — CID 113217307

IUPAC1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O4/c1-12-5-6-14(10-15(12)20)22-19(23)21-8-7-13-9-17(25-3)18(26-4)11-16(13)24-2/h5-6,9-11H,7-8H2,1-4H3,(H2,21,22,23)
InChIKeyHCXMHYQSFKTPMF-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.04
Rot. Bonds7

About 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217307) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217307
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O4/c1-12-5-6-14(10-15(12)20)22-19(23)21-8-7-13-9-17(25-3)18(26-4)11-16(13)24-2/h5-6,9-11H,7-8H2,1-4H3,(H2,21,22,23)
InChIKeyHCXMHYQSFKTPMF-UHFFFAOYSA-N
XLogP4.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137853
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217307) is 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is HCXMHYQSFKTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-12-5-6-14(10-15(12)20)22-19(23)21-8-7-13-9-17(25-3)18(26-4)11-16(13)24-2/h5-6,9-11H,7-8H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 378.86 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).