5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide

C11H14ClF2N3O — CID 67978209

IUPAC5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
SMILESCNc1cc(Cl)c(C(=O)NCC(C)(F)F)cc1N
InChIInChI=1S/C11H14ClF2N3O/c1-11(13,14)5-17-10(18)6-3-8(15)9(16-2)4-7(6)12/h3-4,16H,5,15H2,1-2H3,(H,17,18)
InChIKeyVLXQWPLDLNPMEC-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide

5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide (PubChem CID 67978209) has the molecular formula C11H14ClF2N3O and a molecular weight of 277.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
PubChem CID67978209
Molecular FormulaC11H14ClF2N3O
Molecular Weight277.70 g/mol
Exact Mass277.08
IUPAC Name5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
SMILESCNc1cc(Cl)c(C(=O)NCC(C)(F)F)cc1N
InChIInChI=1S/C11H14ClF2N3O/c1-11(13,14)5-17-10(18)6-3-8(15)9(16-2)4-7(6)12/h3-4,16H,5,15H2,1-2H3,(H,17,18)
InChIKeyVLXQWPLDLNPMEC-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 67978849
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-[(5-amino-2-chloro-4-fluorobenzoyl)amino]acetic acid
CID 86713109
5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 67978811
2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480490
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide (CID 67978209) is 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide is CNc1cc(Cl)c(C(=O)NCC(C)(F)F)cc1N.
What is the InChIKey of 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide?
The InChIKey is VLXQWPLDLNPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O/c1-11(13,14)5-17-10(18)6-3-8(15)9(16-2)4-7(6)12/h3-4,16H,5,15H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide?
5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide has a molecular weight of 277.70 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide is sourced from PubChem (CID 67978209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).