N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride

C13H19ClFN3O2 — CID 119299566

IUPACN-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NCCCC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2.ClH/c14-11-5-3-10(4-6-11)13(19)17-9-8-16-12(18)2-1-7-15;/h3-6H,1-2,7-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyJLVVCILEQRPVDH-UHFFFAOYSA-N
MW303.76 g/mol
LogP0.83
Rot. Bonds7

About N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride

N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119299566) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.76 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID119299566
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.76 g/mol
Exact Mass303.11
IUPAC NameN-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NCCCC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2.ClH/c14-11-5-3-10(4-6-11)13(19)17-9-8-16-12(18)2-1-7-15;/h3-6H,1-2,7-9,15H2,(H,16,18)(H,17,19);1H
InChIKeyJLVVCILEQRPVDH-UHFFFAOYSA-N
XLogP0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[4-[2-(4-aminophenyl)ethylamino]-4-oxobutyl]-4-fluorobenzamide
CID 119548004
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119408124
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
methyl (2S)-3-[4-[(4-fluorobenzoyl)amino]butanoylamino]-2-methoxypropanoate
CID 124883252

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride (CID 119299566) is N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride is Cl.NCCCC(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is JLVVCILEQRPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c14-11-5-3-10(4-6-11)13(19)17-9-8-16-12(18)2-1-7-15;/h3-6H,1-2,7-9,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride?
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 303.76 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119299566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).