2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide

C12H16BrFN2O — CID 61300631

IUPAC2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-3-11(15)12(17)16-7-8-6-9(13)4-5-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyMNTCRGNOSHGMJX-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide (PubChem CID 61300631) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
PubChem CID61300631
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-3-11(15)12(17)16-7-8-6-9(13)4-5-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyMNTCRGNOSHGMJX-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
CID 61298886
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide (CID 61300631) is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide is CCCC(N)C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide?
The InChIKey is MNTCRGNOSHGMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-3-11(15)12(17)16-7-8-6-9(13)4-5-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide?
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide has a molecular weight of 303.18 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 61300631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).