1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

C15H21ClN2O2 — CID 71968263

IUPAC1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(13(11)16)18-14(19)17-10-15(6-7-15)8-9-20-2/h3-5H,6-10H2,1-2H3,(H2,17,18,19)
InChIKeyKZKXDCCPHXTOEW-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (PubChem CID 71968263) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
PubChem CID71968263
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(13(11)16)18-14(19)17-10-15(6-7-15)8-9-20-2/h3-5H,6-10H2,1-2H3,(H2,17,18,19)
InChIKeyKZKXDCCPHXTOEW-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-methylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618293
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 71914833
1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131926247
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (CID 71968263) is 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is COCCC1(CNC(=O)Nc2cccc(C)c2Cl)CC1.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The InChIKey is KZKXDCCPHXTOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(13(11)16)18-14(19)17-10-15(6-7-15)8-9-20-2/h3-5H,6-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea has a molecular weight of 296.80 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71968263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).