1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea

C19H21ClN2O2 — CID 110441168

IUPAC1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)Nc2cccc(Cl)c2)CCC1
InChIInChI=1S/C19H21ClN2O2/c1-24-17-9-3-2-8-16(17)19(10-5-11-19)13-21-18(23)22-15-7-4-6-14(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,22,23)
InChIKeyVUQJIHXDCOXYQF-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.59
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea

1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea (PubChem CID 110441168) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
PubChem CID110441168
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)Nc2cccc(Cl)c2)CCC1
InChIInChI=1S/C19H21ClN2O2/c1-24-17-9-3-2-8-16(17)19(10-5-11-19)13-21-18(23)22-15-7-4-6-14(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,22,23)
InChIKeyVUQJIHXDCOXYQF-UHFFFAOYSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110446818
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea (CID 110441168) is 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea is COc1ccccc1C1(CNC(=O)Nc2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea?
The InChIKey is VUQJIHXDCOXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-17-9-3-2-8-16(17)19(10-5-11-19)13-21-18(23)22-15-7-4-6-14(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea?
1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea has a molecular weight of 344.84 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 110441168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).