1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide

C16H20ClFN2O2 — CID 46942708

IUPAC1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H20ClFN2O2/c1-3-7-19-15(22)16(2)6-8-20(10-16)14(21)12-5-4-11(18)9-13(12)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,22)
InChIKeyFGIMUQITOHVXPP-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide

1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 46942708) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
PubChem CID46942708
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H20ClFN2O2/c1-3-7-19-15(22)16(2)6-8-20(10-16)14(21)12-5-4-11(18)9-13(12)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,22)
InChIKeyFGIMUQITOHVXPP-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide 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-butyl-2-chlorobenzamide
CID 347041
Benzamide derivative 11
CID 41306362
2-Chloro-N-isobutylbenzamide
CID 220920
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
CID 6470536
4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 9534854
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 17407936
2-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]benzamide
CID 18135532
2-chloro-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]benzamide
CID 18135825
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818329
N-[3-(azocan-1-yl)-3-oxopropyl]-4-chlorobenzamide
CID 24979845
N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 2556174

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide (CID 46942708) is 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is FGIMUQITOHVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-3-7-19-15(22)16(2)6-8-20(10-16)14(21)12-5-4-11(18)9-13(12)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 326.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46942708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).