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

C18H19ClN2O2 — CID 110446815

IUPAC1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c1-23-16-5-3-2-4-15(16)18(10-11-18)12-20-17(22)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H2,20,21,22)
InChIKeyPGKXKFQWHZESCQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.20
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 110446815) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID110446815
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c1-23-16-5-3-2-4-15(16)18(10-11-18)12-20-17(22)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H2,20,21,22)
InChIKeyPGKXKFQWHZESCQ-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.20
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-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110441168
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
CID 60612373
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 60612250
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea (CID 110446815) is 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccccc1C1(CNC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is PGKXKFQWHZESCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-23-16-5-3-2-4-15(16)18(10-11-18)12-20-17(22)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 330.82 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 110446815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).