2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

C18H19BrFNO — CID 46579861

IUPAC2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H19BrFNO/c1-11(2)13-4-6-14(7-5-13)12(3)21-18(22)16-9-8-15(20)10-17(16)19/h4-12H,1-3H3,(H,21,22)
InChIKeyJQQKFDQHPIWDAT-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.20
Rot. Bonds4

About 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 46579861) has the molecular formula C18H19BrFNO and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID46579861
Molecular FormulaC18H19BrFNO
Molecular Weight364.26 g/mol
Exact Mass363.06
IUPAC Name2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H19BrFNO/c1-11(2)13-4-6-14(7-5-13)12(3)21-18(22)16-9-8-15(20)10-17(16)19/h4-12H,1-3H3,(H,21,22)
InChIKeyJQQKFDQHPIWDAT-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 24708890
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CID 60739114
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
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CID 4782933
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119526384
2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55821144
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (CID 46579861) is 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is JQQKFDQHPIWDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO/c1-11(2)13-4-6-14(7-5-13)12(3)21-18(22)16-9-8-15(20)10-17(16)19/h4-12H,1-3H3,(H,21,22).
What are the key properties of 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 364.26 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 46579861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).