3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide

C15H15ClN2O2 — CID 60926921

IUPAC3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-11(9-12)18-15(19)10-6-7-13(16)14(17)8-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyIPDIIODKEAXZQV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide

3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide (PubChem CID 60926921) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
PubChem CID60926921
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-11(9-12)18-15(19)10-6-7-13(16)14(17)8-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyIPDIIODKEAXZQV-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.57
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

N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide (CID 60926921) is 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide is CCOc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide?
The InChIKey is IPDIIODKEAXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-11(9-12)18-15(19)10-6-7-13(16)14(17)8-10/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide?
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 60926921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).