3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide

C17H18ClN3O3 — CID 60602927

IUPAC3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-11-2-3-12(16(19)22)10-15(11)21-17(23)20-8-9-24-14-6-4-13(18)5-7-14/h2-7,10H,8-9H2,1H3,(H2,19,22)(H2,20,21,23)
InChIKeyAHYAVDGJKYCJIV-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.95
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide

3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide (PubChem CID 60602927) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide
PubChem CID60602927
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-11-2-3-12(16(19)22)10-15(11)21-17(23)20-8-9-24-14-6-4-13(18)5-7-14/h2-7,10H,8-9H2,1H3,(H2,19,22)(H2,20,21,23)
InChIKeyAHYAVDGJKYCJIV-UHFFFAOYSA-N
XLogP2.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
CID 60602931
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
methyl 4-chloro-3-[2-(4-chloro-3-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976758
methyl 4-chloro-3-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112973218
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide (CID 60602927) is 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1NC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide?
The InChIKey is AHYAVDGJKYCJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-2-3-12(16(19)22)10-15(11)21-17(23)20-8-9-24-14-6-4-13(18)5-7-14/h2-7,10H,8-9H2,1H3,(H2,19,22)(H2,20,21,23).
What are the key properties of 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide?
3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide has a molecular weight of 347.80 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide is sourced from PubChem (CID 60602927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).