4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

C17H24ClFN2O — CID 123915044

IUPAC4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCC(C)C(CN1CCCC1)NC(=O)c1ccc(Cl)cc1CF
InChIInChI=1S/C17H24ClFN2O/c1-12(2)16(11-21-7-3-4-8-21)20-17(22)15-6-5-14(18)9-13(15)10-19/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyISCLXCNJBXSMRR-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (PubChem CID 123915044) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
PubChem CID123915044
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCC(C)C(CN1CCCC1)NC(=O)c1ccc(Cl)cc1CF
InChIInChI=1S/C17H24ClFN2O/c1-12(2)16(11-21-7-3-4-8-21)20-17(22)15-6-5-14(18)9-13(15)10-19/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyISCLXCNJBXSMRR-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide 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-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-3-[(3-methyl-1-piperidin-1-ylbutan-2-yl)carbamoyl]benzoic acid
CID 166290185
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
3-(bromomethyl)-N-(3-methyl-1-piperidin-1-ylbutan-2-yl)benzamide
CID 123940447
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (CID 123915044) is 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is CC(C)C(CN1CCCC1)NC(=O)c1ccc(Cl)cc1CF.
What is the InChIKey of 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The InChIKey is ISCLXCNJBXSMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c1-12(2)16(11-21-7-3-4-8-21)20-17(22)15-6-5-14(18)9-13(15)10-19/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide has a molecular weight of 326.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is sourced from PubChem (CID 123915044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).