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

C18H21ClN2O4 — CID 23966213

IUPAC1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(Cl)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H21ClN2O4/c1-11-7-13(19)6-5-12(11)10-20-18(22)21-14-8-15(23-2)17(25-4)16(9-14)24-3/h5-9H,10H2,1-4H3,(H2,20,21,22)
InChIKeyGTFAEOVNBJEINK-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.00
Rot. Bonds6

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

1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 23966213) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID23966213
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(Cl)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H21ClN2O4/c1-11-7-13(19)6-5-12(11)10-20-18(22)21-14-8-15(23-2)17(25-4)16(9-14)24-3/h5-9H,10H2,1-4H3,(H2,20,21,22)
InChIKeyGTFAEOVNBJEINK-UHFFFAOYSA-N
XLogP4.00
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
1-[(4-bromophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866786
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 23966213) is 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCc2ccc(Cl)cc2C)cc(OC)c1OC.
What is the InChIKey of 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is GTFAEOVNBJEINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-7-13(19)6-5-12(11)10-20-18(22)21-14-8-15(23-2)17(25-4)16(9-14)24-3/h5-9H,10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 364.83 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 23966213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).