4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide

C13H19ClN2O2 — CID 114940306

IUPAC4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-18-13(2,3)8-16-12(17)9-5-6-11(15)10(14)7-9/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyDEBZKRNVCCRGHW-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide

4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide (PubChem CID 114940306) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
PubChem CID114940306
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-18-13(2,3)8-16-12(17)9-5-6-11(15)10(14)7-9/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyDEBZKRNVCCRGHW-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.47
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-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114944144
6-amino-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 114944068
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
CID 114941685
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide (CID 114940306) is 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide is CCOC(C)(C)CNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide?
The InChIKey is DEBZKRNVCCRGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-18-13(2,3)8-16-12(17)9-5-6-11(15)10(14)7-9/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide?
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 114940306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).