1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea

C18H21ClN2O3 — CID 90598282

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)NCc1ccc(Cl)cc1)OC
InChIInChI=1S/C18H21ClN2O3/c1-23-16-6-4-3-5-15(16)17(24-2)12-21-18(22)20-11-13-7-9-14(19)10-8-13/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyBZFSQBNUKZGKEX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.54
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 90598282) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
PubChem CID90598282
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)NCc1ccc(Cl)cc1)OC
InChIInChI=1S/C18H21ClN2O3/c1-23-16-6-4-3-5-15(16)17(24-2)12-21-18(22)20-11-13-7-9-14(19)10-8-13/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyBZFSQBNUKZGKEX-UHFFFAOYSA-N
XLogP3.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-[(4-chlorophenyl)methyl]-3-[3-(2-methoxyphenyl)prop-2-ynyl]urea
CID 90553175
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea (CID 90598282) is 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1C(CNC(=O)NCc1ccc(Cl)cc1)OC.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is BZFSQBNUKZGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-16-6-4-3-5-15(16)17(24-2)12-21-18(22)20-11-13-7-9-14(19)10-8-13/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 348.83 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 90598282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).