2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide

C19H21BrFNO — CID 16563664

IUPAC2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(F)cc2Br)C(C)C)cc1
InChIInChI=1S/C19H21BrFNO/c1-4-13-5-7-14(8-6-13)18(12(2)3)22-19(23)16-10-9-15(21)11-17(16)20/h5-12,18H,4H2,1-3H3,(H,22,23)
InChIKeyRXUHTYAEKBBJBM-UHFFFAOYSA-N
MW378.29 g/mol
LogP5.28
Rot. Bonds5

About 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide

2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide (PubChem CID 16563664) has the molecular formula C19H21BrFNO and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
PubChem CID16563664
Molecular FormulaC19H21BrFNO
Molecular Weight378.29 g/mol
Exact Mass377.08
IUPAC Name2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(F)cc2Br)C(C)C)cc1
InChIInChI=1S/C19H21BrFNO/c1-4-13-5-7-14(8-6-13)18(12(2)3)22-19(23)16-10-9-15(21)11-17(16)20/h5-12,18H,4H2,1-3H3,(H,22,23)
InChIKeyRXUHTYAEKBBJBM-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
CID 9050935
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
CID 60666299
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 46826214
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
methyl (2S,3S)-2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 122158474
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide (CID 16563664) is 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide is CCc1ccc(C(NC(=O)c2ccc(F)cc2Br)C(C)C)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide?
The InChIKey is RXUHTYAEKBBJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO/c1-4-13-5-7-14(8-6-13)18(12(2)3)22-19(23)16-10-9-15(21)11-17(16)20/h5-12,18H,4H2,1-3H3,(H,22,23).
What are the key properties of 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide?
2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide has a molecular weight of 378.29 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide is sourced from PubChem (CID 16563664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).