N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide

C13H17FN2O2 — CID 78784679

IUPACN-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
SMILESCCCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-3-7-15-12(17)9-16-13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyTVYUSSUWOCNGQU-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide

N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78784679) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
PubChem CID78784679
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
SMILESCCCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-3-7-15-12(17)9-16-13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyTVYUSSUWOCNGQU-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
N'-butyl-3-fluorobenzohydrazide
CID 118418454
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
CID 6032270
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide (CID 78784679) is N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide is CCCCNC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is TVYUSSUWOCNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-3-7-15-12(17)9-16-13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78784679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).