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

C16H17ClN2O2 — CID 38157251

IUPAC1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-7-4-5-12(9-14)10-18-16(20)19-11-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyPRKICPRVLBQCRR-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.35
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 38157251) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID38157251
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-7-4-5-12(9-14)10-18-16(20)19-11-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyPRKICPRVLBQCRR-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517836
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (CID 38157251) is 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is PRKICPRVLBQCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-14-7-4-5-12(9-14)10-18-16(20)19-11-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 304.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38157251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).