1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea

C17H19ClN2O2 — CID 108991505

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-12-5-7-13(8-6-12)19-17(21)20-15-9-11(2)14(18)10-16(15)22-3/h5-10H,4H2,1-3H3,(H2,19,20,21)
InChIKeyVFYYPJSPGQFJQO-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.86
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea (PubChem CID 108991505) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
PubChem CID108991505
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-12-5-7-13(8-6-12)19-17(21)20-15-9-11(2)14(18)10-16(15)22-3/h5-10H,4H2,1-3H3,(H2,19,20,21)
InChIKeyVFYYPJSPGQFJQO-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992500
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea (CID 108991505) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea?
The InChIKey is VFYYPJSPGQFJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-4-12-5-7-13(8-6-12)19-17(21)20-15-9-11(2)14(18)10-16(15)22-3/h5-10H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 108991505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).