3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide

C13H19ClN2O — CID 112574718

IUPAC3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(8-9(2)3)13(17)10-6-5-7-11(15)12(10)14/h5-7,9H,4,8,15H2,1-3H3
InChIKeyWJNBYAZURYJHLE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.04
Rot. Bonds4

About 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide

3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide (PubChem CID 112574718) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
PubChem CID112574718
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(8-9(2)3)13(17)10-6-5-7-11(15)12(10)14/h5-7,9H,4,8,15H2,1-3H3
InChIKeyWJNBYAZURYJHLE-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
CID 115930604
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-amino-2-chloro-N,N-bis(cyanomethyl)benzamide
CID 112574281
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-chloro-N-ethyl-3-fluorobenzamide
CID 81462148

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide (CID 112574718) is 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide?
The InChIKey is WJNBYAZURYJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(8-9(2)3)13(17)10-6-5-7-11(15)12(10)14/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide?
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 112574718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).