4-bromo-N-(1,2,2-trifluoroethyl)benzamide

C9H7BrF3NO — CID 175507232

IUPAC4-bromo-N-(1,2,2-trifluoroethyl)benzamide
SMILESO=C(NC(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF3NO/c10-6-3-1-5(2-4-6)9(15)14-8(13)7(11)12/h1-4,7-8H,(H,14,15)
InChIKeyYSYQLQDIEVADRN-UHFFFAOYSA-N
MW282.06 g/mol
LogP2.74
Rot. Bonds3

About 4-bromo-N-(1,2,2-trifluoroethyl)benzamide

4-bromo-N-(1,2,2-trifluoroethyl)benzamide (PubChem CID 175507232) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is 4-bromo-N-(1,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,2,2-trifluoroethyl)benzamide
PubChem CID175507232
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC Name4-bromo-N-(1,2,2-trifluoroethyl)benzamide
SMILESO=C(NC(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF3NO/c10-6-3-1-5(2-4-6)9(15)14-8(13)7(11)12/h1-4,7-8H,(H,14,15)
InChIKeyYSYQLQDIEVADRN-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-bromo-N-(3-chlorobutan-2-yl)benzamide
CID 131162953
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 34256272
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-N-(1,2,2-trifluoroethyl)benzamide (CID 175507232) is 4-bromo-N-(1,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1,2,2-trifluoroethyl)benzamide is O=C(NC(F)C(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,2,2-trifluoroethyl)benzamide?
The InChIKey is YSYQLQDIEVADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c10-6-3-1-5(2-4-6)9(15)14-8(13)7(11)12/h1-4,7-8H,(H,14,15).
What are the key properties of 4-bromo-N-(1,2,2-trifluoroethyl)benzamide?
4-bromo-N-(1,2,2-trifluoroethyl)benzamide has a molecular weight of 282.06 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 175507232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).