2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

C14H18ClFN2O2 — CID 113158932

IUPAC2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)CC(C)C
InChIInChI=1S/C14H18ClFN2O2/c1-9(2)7-18(10(3)19)8-14(20)17-11-4-5-13(16)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyDTIMPZAOERJGNT-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.92
Rot. Bonds5

About 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113158932) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113158932
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)CC(C)C
InChIInChI=1S/C14H18ClFN2O2/c1-9(2)7-18(10(3)19)8-14(20)17-11-4-5-13(16)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyDTIMPZAOERJGNT-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide 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-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
methyl 4-[[2-[acetyl(2-methylpropyl)amino]acetyl]amino]benzoate
CID 113158958
N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
CID 60514650
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 113158932) is 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is DTIMPZAOERJGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9(2)7-18(10(3)19)8-14(20)17-11-4-5-13(16)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113158932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).