2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide

C15H20ClFN2O2 — CID 108575170

IUPAC2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,3)9-12(20)18-7-8-19-14(21)13-10(16)5-4-6-11(13)17/h4-6H,7-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZIDIELHNSBENIG-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide (PubChem CID 108575170) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
PubChem CID108575170
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,3)9-12(20)18-7-8-19-14(21)13-10(16)5-4-6-11(13)17/h4-6H,7-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZIDIELHNSBENIG-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-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

2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
tert-butyl N-[2-[3-[(2-chloro-6-fluorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918802
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide (CID 108575170) is 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide is CC(C)(C)CC(=O)NCCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide?
The InChIKey is ZIDIELHNSBENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-15(2,3)9-12(20)18-7-8-19-14(21)13-10(16)5-4-6-11(13)17/h4-6H,7-9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide has a molecular weight of 314.79 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 108575170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).