N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide

C14H21FN2O — CID 119499708

IUPACN-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
SMILESCC(N)CCNC(=O)CC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-10(12-5-3-4-6-13(12)15)9-14(18)17-8-7-11(2)16/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyMQXRFJAQPIBHOX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.17
Rot. Bonds6

About N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide

N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide (PubChem CID 119499708) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
PubChem CID119499708
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
SMILESCC(N)CCNC(=O)CC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-10(12-5-3-4-6-13(12)15)9-14(18)17-8-7-11(2)16/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyMQXRFJAQPIBHOX-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
CID 120505857
2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide?
The IUPAC name of N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide (CID 119499708) is N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide?
The canonical SMILES for N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide is CC(N)CCNC(=O)CC(C)c1ccccc1F.
What is the InChIKey of N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide?
The InChIKey is MQXRFJAQPIBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(12-5-3-4-6-13(12)15)9-14(18)17-8-7-11(2)16/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide?
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide is sourced from PubChem (CID 119499708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).