N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide

C16H21BrFNO — CID 118363196

IUPACN-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(Br)CCC2CC2)ccc1F
InChIInChI=1S/C16H21BrFNO/c1-2-3-16(20)19-15-10-12(7-9-14(15)18)13(17)8-6-11-4-5-11/h7,9-11,13H,2-6,8H2,1H3,(H,19,20)
InChIKeyYTPILWPIGFANOE-UHFFFAOYSA-N
MW342.25 g/mol
LogP5.19
Rot. Bonds7

About N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide

N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide (PubChem CID 118363196) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide.

Molecular Properties

Compound NameN-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide
PubChem CID118363196
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC NameN-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(Br)CCC2CC2)ccc1F
InChIInChI=1S/C16H21BrFNO/c1-2-3-16(20)19-15-10-12(7-9-14(15)18)13(17)8-6-11-4-5-11/h7,9-11,13H,2-6,8H2,1H3,(H,19,20)
InChIKeyYTPILWPIGFANOE-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.25
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
CID 174185412
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
CID 177029806
ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate
CID 135281878
1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane
CID 144916872
N-[4,5,8-tris(butanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 91745988
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide?
The IUPAC name of N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide (CID 118363196) is N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide.
What is the SMILES notation for N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide?
The canonical SMILES for N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide is CCCC(=O)Nc1cc(C(Br)CCC2CC2)ccc1F.
What is the InChIKey of N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide?
The InChIKey is YTPILWPIGFANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c1-2-3-16(20)19-15-10-12(7-9-14(15)18)13(17)8-6-11-4-5-11/h7,9-11,13H,2-6,8H2,1H3,(H,19,20).
What are the key properties of N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide?
N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide has a molecular weight of 342.25 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide is sourced from PubChem (CID 118363196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).