2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide

C13H19ClN2O — CID 43295321

IUPAC2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyHPCYJKKWTFDOEF-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide

2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide (PubChem CID 43295321) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
PubChem CID43295321
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyHPCYJKKWTFDOEF-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

2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
1-(2-amino-4-chlorophenyl)-3-methylpentan-1-one
CID 64914013
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide (CID 43295321) is 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is HPCYJKKWTFDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide?
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)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 2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 43295321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).