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

C16H17ClN2O2 — CID 108892964

IUPAC1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11-3-6-14(7-4-11)21-10-18-16(20)19-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyLBGBVABXOCNSRL-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.11
Rot. Bonds4

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

1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea (PubChem CID 108892964) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
PubChem CID108892964
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11-3-6-14(7-4-11)21-10-18-16(20)19-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyLBGBVABXOCNSRL-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
1-(2-amino-4-methylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878155
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-(2,5-dichlorophenyl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880105

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea (CID 108892964) is 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea is Cc1ccc(OCNC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea?
The InChIKey is LBGBVABXOCNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-3-6-14(7-4-11)21-10-18-16(20)19-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea?
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea has a molecular weight of 304.78 g/mol, XLogP of 4.11, 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-methylphenyl)-3-[(4-methylphenoxy)methyl]urea is sourced from PubChem (CID 108892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).