5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide

C15H24ClN3O — CID 62187110

IUPAC5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C15H24ClN3O/c1-15(2,10-19(4)5)9-18-14(20)12-8-11(16)6-7-13(12)17-3/h6-8,17H,9-10H2,1-5H3,(H,18,20)
InChIKeyDKDJWBVOFFJCFL-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.70
Rot. Bonds6

About 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide

5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide (PubChem CID 62187110) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
PubChem CID62187110
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C15H24ClN3O/c1-15(2,10-19(4)5)9-18-14(20)12-8-11(16)6-7-13(12)17-3/h6-8,17H,9-10H2,1-5H3,(H,18,20)
InChIKeyDKDJWBVOFFJCFL-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
CID 112792900
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
CID 70534274

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide (CID 62187110) is 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide?
The InChIKey is DKDJWBVOFFJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,10-19(4)5)9-18-14(20)12-8-11(16)6-7-13(12)17-3/h6-8,17H,9-10H2,1-5H3,(H,18,20).
What are the key properties of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide?
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide has a molecular weight of 297.83 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide is sourced from PubChem (CID 62187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).