(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide

C14H18BrFN2O2 — CID 26584951

IUPAC(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide
SMILESCCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-5-10(15)14(20)17-9-8-13(19)18-12-7-4-3-6-11(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1
InChIKeyONLSQPFKLZGNOR-SNVBAGLBSA-N
MW345.21 g/mol
LogP2.83
Rot. Bonds7

About (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide

(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide (PubChem CID 26584951) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide
PubChem CID26584951
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide
SMILESCCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-5-10(15)14(20)17-9-8-13(19)18-12-7-4-3-6-11(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1
InChIKeyONLSQPFKLZGNOR-SNVBAGLBSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-anilino-3-oxopropyl)-2-bromopentanamide
CID 40803155
N-(2-fluorophenyl)butanamide
CID 849021
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
CID 26584980
N-(2-fluorophenyl)hexanamide
CID 3481165
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
CID 26584930
3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 17473263
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
(2R)-2-bromo-N-[3-(3-ethoxyanilino)-3-oxopropyl]pentanamide
CID 40803315
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide?
The IUPAC name of (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide (CID 26584951) is (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide.
What is the SMILES notation for (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide?
The canonical SMILES for (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide is CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide?
The InChIKey is ONLSQPFKLZGNOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-5-10(15)14(20)17-9-8-13(19)18-12-7-4-3-6-11(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide?
(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide has a molecular weight of 345.21 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 26584951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).