3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

C18H18BrFN2O2 — CID 110626082

IUPAC3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C18H18BrFN2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)13-8-14(19)10-15(20)9-13/h3-11,16H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFWWUTFVNOBDZCS-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.58
Rot. Bonds5

About 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 110626082) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID110626082
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C18H18BrFN2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)13-8-14(19)10-15(20)9-13/h3-11,16H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFWWUTFVNOBDZCS-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113264397
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (CID 110626082) is 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)C(NC(=O)c1cc(F)cc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is FWWUTFVNOBDZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)13-8-14(19)10-15(20)9-13/h3-11,16H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 393.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 110626082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).