4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane

C18H23ClN2O2 — CID 143138979

IUPAC4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane
SMILESCC.CCCNC(=O)c1ccc(N)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2.C2H6/c1-2-8-19-16(20)11-6-7-14(18)15(9-11)21-13-5-3-4-12(17)10-13;1-2/h3-7,9-10H,2,8,18H2,1H3,(H,19,20);1-2H3
InChIKeyAWWMJWUMRKZDKH-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.88
Rot. Bonds5

About 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane

4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane (PubChem CID 143138979) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane.

Molecular Properties

Compound Name4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane
PubChem CID143138979
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane
SMILESCC.CCCNC(=O)c1ccc(N)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2.C2H6/c1-2-8-19-16(20)11-6-7-14(18)15(9-11)21-13-5-3-4-12(17)10-13;1-2/h3-7,9-10H,2,8,18H2,1H3,(H,19,20);1-2H3
InChIKeyAWWMJWUMRKZDKH-UHFFFAOYSA-N
XLogP4.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-chlorophenoxy)-N-propylbenzamide
CID 23106204
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
N-butyl-4-fluoro-3-phenoxybenzamide
CID 134100866

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane?
The IUPAC name of 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane (CID 143138979) is 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane.
What is the SMILES notation for 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane?
The canonical SMILES for 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane is CC.CCCNC(=O)c1ccc(N)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane?
The InChIKey is AWWMJWUMRKZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2.C2H6/c1-2-8-19-16(20)11-6-7-14(18)15(9-11)21-13-5-3-4-12(17)10-13;1-2/h3-7,9-10H,2,8,18H2,1H3,(H,19,20);1-2H3.
What are the key properties of 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane?
4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane has a molecular weight of 334.85 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane is sourced from PubChem (CID 143138979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).