4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C13H15BrF3NO — CID 112706112

IUPAC4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-8(2)18(7-13(15,16)17)12(19)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3
InChIKeyHNWXYQXJNAMWQS-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.17
Rot. Bonds3

About 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 112706112) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID112706112
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-8(2)18(7-13(15,16)17)12(19)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3
InChIKeyHNWXYQXJNAMWQS-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62179572
1-(4-bromo-3-methylphenyl)-3-[di(propan-2-yl)amino]-4,4,4-trifluorobut-2-en-1-one
CID 68515894
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 71852525

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 112706112) is 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HNWXYQXJNAMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-8(2)18(7-13(15,16)17)12(19)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 338.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 112706112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).