5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide

C13H17ClN2O — CID 55047042

IUPAC5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC1CC1(C)C
InChIInChI=1S/C13H17ClN2O/c1-13(2)7-11(13)16-12(17)9-6-8(14)4-5-10(9)15-3/h4-6,11,15H,7H2,1-3H3,(H,16,17)
InChIKeyWMLQQFFPFFSDEB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide

5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide (PubChem CID 55047042) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
PubChem CID55047042
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC1CC1(C)C
InChIInChI=1S/C13H17ClN2O/c1-13(2)7-11(13)16-12(17)9-6-8(14)4-5-10(9)15-3/h4-6,11,15H,7H2,1-3H3,(H,16,17)
InChIKeyWMLQQFFPFFSDEB-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
N-(2,2-dimethylcyclopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62180358
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
CID 79382058
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
CID 112575815
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
CID 83023895

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide (CID 55047042) is 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NC1CC1(C)C.
What is the InChIKey of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide?
The InChIKey is WMLQQFFPFFSDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(2)7-11(13)16-12(17)9-6-8(14)4-5-10(9)15-3/h4-6,11,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide?
5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide is sourced from PubChem (CID 55047042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).