N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide

C17H17F3N2O2 — CID 71852525

IUPACN-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11(2)22(10-17(18,19)20)16(24)13-5-3-12(4-6-13)15(23)14-7-8-21-9-14/h3-9,11,21H,10H2,1-2H3
InChIKeyAIDNKYFWFCGWOX-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.66
Rot. Bonds5

About N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide

N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71852525) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71852525
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11(2)22(10-17(18,19)20)16(24)13-5-3-12(4-6-13)15(23)14-7-8-21-9-14/h3-9,11,21H,10H2,1-2H3
InChIKeyAIDNKYFWFCGWOX-UHFFFAOYSA-N
XLogP3.66
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 97237392
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 109381074
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
N-(1-methylsulfanylpropan-2-yl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 71979410
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
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

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 71852525) is N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AIDNKYFWFCGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11(2)22(10-17(18,19)20)16(24)13-5-3-12(4-6-13)15(23)14-7-8-21-9-14/h3-9,11,21H,10H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide?
N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 338.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71852525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).