2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide

C15H19Cl2FN2O — CID 11209793

IUPAC2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C15H19Cl2FN2O/c1-9(2)8-20(10-3-4-19-7-10)15(21)11-5-14(18)13(17)6-12(11)16/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyULVTVXTUDDHYBY-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.59
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide

2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 11209793) has the molecular formula C15H19Cl2FN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID11209793
Molecular FormulaC15H19Cl2FN2O
Molecular Weight333.23 g/mol
Exact Mass332.09
IUPAC Name2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C15H19Cl2FN2O/c1-9(2)8-20(10-3-4-19-7-10)15(21)11-5-14(18)13(17)6-12(11)16/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyULVTVXTUDDHYBY-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide 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

2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
CID 11450731
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82771645
N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63298327
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2,4-dichloro-N-methyl-5-methylsulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551765
N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 11325460

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide (CID 11209793) is 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide is CC(C)CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ULVTVXTUDDHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2FN2O/c1-9(2)8-20(10-3-4-19-7-10)15(21)11-5-14(18)13(17)6-12(11)16/h5-6,9-10,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 11209793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).