5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide

C15H19BrFNO — CID 107909246

IUPAC5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCBr)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19BrFNO/c16-10-2-1-3-15(19)18(14-8-9-14)11-12-4-6-13(17)7-5-12/h4-7,14H,1-3,8-11H2
InChIKeyNQINNJNNHCSCHC-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.88
Rot. Bonds7

About 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 107909246) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID107909246
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCBr)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19BrFNO/c16-10-2-1-3-15(19)18(14-8-9-14)11-12-4-6-13(17)7-5-12/h4-7,14H,1-3,8-11H2
InChIKeyNQINNJNNHCSCHC-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18164911
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide (CID 107909246) is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide is O=C(CCCCBr)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is NQINNJNNHCSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-10-2-1-3-15(19)18(14-8-9-14)11-12-4-6-13(17)7-5-12/h4-7,14H,1-3,8-11H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide?
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 328.22 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 107909246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).