1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea

C17H19ClN2O2 — CID 108884299

IUPAC1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-14-9-7-13(8-10-14)11-19-17(21)20-16-6-4-5-15(18)12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyAJUBUXNSNUXQJI-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.37
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea

1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea (PubChem CID 108884299) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
PubChem CID108884299
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-14-9-7-13(8-10-14)11-19-17(21)20-16-6-4-5-15(18)12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyAJUBUXNSNUXQJI-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-(2-chloro-5-nitrophenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884373
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
CID 108884390
methyl 3-[(4-ethoxyphenyl)methylcarbamothioylamino]-2-methylbenzoate
CID 100629493

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea (CID 108884299) is 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The InChIKey is AJUBUXNSNUXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-22-14-9-7-13(8-10-14)11-19-17(21)20-16-6-4-5-15(18)12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 108884299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).