N-[(2-bromo-5-fluorophenyl)methyl]butanamide

C11H13BrFNO — CID 61062956

IUPACN-[(2-bromo-5-fluorophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO/c1-2-3-11(15)14-7-8-6-9(13)4-5-10(8)12/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyNMHXVMVKOICZRE-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.00
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]butanamide (PubChem CID 61062956) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]butanamide
PubChem CID61062956
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO/c1-2-3-11(15)14-7-8-6-9(13)4-5-10(8)12/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyNMHXVMVKOICZRE-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 47063585
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]prop-2-ynamide
CID 131097698
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]butanamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]butanamide (CID 61062956) is N-[(2-bromo-5-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]butanamide is CCCC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]butanamide?
The InChIKey is NMHXVMVKOICZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-2-3-11(15)14-7-8-6-9(13)4-5-10(8)12/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]butanamide?
N-[(2-bromo-5-fluorophenyl)methyl]butanamide has a molecular weight of 274.13 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 61062956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).