2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide

C15H24ClN3O — CID 61115159

IUPAC2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O/c1-11(2)10-19(8-7-18(3)4)15(20)13-6-5-12(16)9-14(13)17/h5-6,9,11H,7-8,10,17H2,1-4H3
InChIKeyKVIHDUZYLPBTKT-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide

2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide (PubChem CID 61115159) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
PubChem CID61115159
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O/c1-11(2)10-19(8-7-18(3)4)15(20)13-6-5-12(16)9-14(13)17/h5-6,9,11H,7-8,10,17H2,1-4H3
InChIKeyKVIHDUZYLPBTKT-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide (CID 61115159) is 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CCN(C)C)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is KVIHDUZYLPBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)10-19(8-7-18(3)4)15(20)13-6-5-12(16)9-14(13)17/h5-6,9,11H,7-8,10,17H2,1-4H3.
What are the key properties of 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 297.83 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61115159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).