N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C12H11F3N2O2 — CID 63374815

IUPACN-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)17-9-3-1-7(2-4-9)10(18)16-8-5-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19)
InChIKeyPVAUTZIMNNHKMK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.08
Rot. Bonds3

About N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 63374815) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID63374815
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC NameN-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)17-9-3-1-7(2-4-9)10(18)16-8-5-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19)
InChIKeyPVAUTZIMNNHKMK-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
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CID 109043370
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
4-benzamido-N-cyclopentylbenzamide
CID 1262350

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 63374815) is N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is O=C(NC1CC1)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is PVAUTZIMNNHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)17-9-3-1-7(2-4-9)10(18)16-8-5-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 272.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 63374815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).