5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H14ClF3N2O — CID 62180211

IUPAC5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-3-17-10-5-4-8(13)6-9(10)11(19)18(2)7-12(14,15)16/h4-6,17H,3,7H2,1-2H3
InChIKeyVHIXFTUDNZSFJR-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.41
Rot. Bonds4

About 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62180211) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62180211
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-3-17-10-5-4-8(13)6-9(10)11(19)18(2)7-12(14,15)16/h4-6,17H,3,7H2,1-2H3
InChIKeyVHIXFTUDNZSFJR-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
CID 63500077
5-chloro-2-(ethylamino)-N-(3-fluorophenyl)-N-methylbenzamide
CID 62173586
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274968
5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79489207
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
5-chloro-N-(2-methoxyethyl)-N-methyl-2-(propylamino)benzamide
CID 62178653
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62180211) is 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCNc1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VHIXFTUDNZSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-3-17-10-5-4-8(13)6-9(10)11(19)18(2)7-12(14,15)16/h4-6,17H,3,7H2,1-2H3.
What are the key properties of 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 294.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62180211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).