3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide

C23H22ClN3O3 — CID 55766234

IUPAC3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O3/c1-16-10-11-19(26-23(29)25-18-7-3-2-4-8-18)15-21(16)27-22(28)12-13-30-20-9-5-6-17(24)14-20/h2-11,14-15H,12-13H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyVWFSTRJGWODYEN-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.70
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide

3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 55766234) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID55766234
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O3/c1-16-10-11-19(26-23(29)25-18-7-3-2-4-8-18)15-21(16)27-22(28)12-13-30-20-9-5-6-17(24)14-20/h2-11,14-15H,12-13H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyVWFSTRJGWODYEN-UHFFFAOYSA-N
XLogP5.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
methyl 2-[3-[2-methyl-5-(phenylcarbamoylamino)anilino]-3-oxopropyl]sulfanylacetate
CID 56568185
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
3-[2-(3-chlorophenoxy)ethylsulfanyl]-N-phenylpropanamide
CID 46575235
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
2-(3-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964606
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide (CID 55766234) is 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is VWFSTRJGWODYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-16-10-11-19(26-23(29)25-18-7-3-2-4-8-18)15-21(16)27-22(28)12-13-30-20-9-5-6-17(24)14-20/h2-11,14-15H,12-13H2,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide?
3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 423.90 g/mol, XLogP of 5.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55766234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).