4-amino-3-(2-chlorophenoxy)-N-propylbenzamide

C16H17ClN2O2 — CID 23106204

IUPAC4-amino-3-(2-chlorophenoxy)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-19-16(20)11-7-8-13(18)15(10-11)21-14-6-4-3-5-12(14)17/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyOSNQSBCBRYIHAA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.85
Rot. Bonds5

About 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide

4-amino-3-(2-chlorophenoxy)-N-propylbenzamide (PubChem CID 23106204) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-chlorophenoxy)-N-propylbenzamide
PubChem CID23106204
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-3-(2-chlorophenoxy)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-9-19-16(20)11-7-8-13(18)15(10-11)21-14-6-4-3-5-12(14)17/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyOSNQSBCBRYIHAA-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide 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-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane
CID 143138979
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide?
The IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide (CID 23106204) is 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide.
What is the SMILES notation for 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide?
The canonical SMILES for 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide is CCCNC(=O)c1ccc(N)c(Oc2ccccc2Cl)c1.
What is the InChIKey of 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide?
The InChIKey is OSNQSBCBRYIHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-9-19-16(20)11-7-8-13(18)15(10-11)21-14-6-4-3-5-12(14)17/h3-8,10H,2,9,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide?
4-amino-3-(2-chlorophenoxy)-N-propylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chlorophenoxy)-N-propylbenzamide is sourced from PubChem (CID 23106204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).