(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide

C11H14BrFN2O — CID 107625667

IUPAC(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-2-3-9(14)11(16)15-10-6-7(13)4-5-8(10)12/h4-6,9H,2-3,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyQUPJLDFQUJQXOG-VIFPVBQESA-N
MW289.15 g/mol
LogP2.65
Rot. Bonds4

About (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide (PubChem CID 107625667) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
PubChem CID107625667
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-2-3-9(14)11(16)15-10-6-7(13)4-5-8(10)12/h4-6,9H,2-3,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyQUPJLDFQUJQXOG-VIFPVBQESA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
3-[[(2R)-2-aminopentanoyl]amino]-4-bromobenzoic acid
CID 114003951
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
2-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]pentanamide;hydrochloride
CID 119330052
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide (CID 107625667) is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide?
The InChIKey is QUPJLDFQUJQXOG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-3-9(14)11(16)15-10-6-7(13)4-5-8(10)12/h4-6,9H,2-3,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide?
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide has a molecular weight of 289.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide is sourced from PubChem (CID 107625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).