4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C15H21ClF2N2O — CID 119552359

IUPAC4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(12-7-8-18-10-12)15(20)4-2-3-11-5-6-13(16)14(17)9-11;/h5-6,9,12,18H,2-4,7-8,10H2,1H3;1H
InChIKeyAQQPNMKTYGHVKF-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.53
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119552359) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119552359
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(12-7-8-18-10-12)15(20)4-2-3-11-5-6-13(16)14(17)9-11;/h5-6,9,12,18H,2-4,7-8,10H2,1H3;1H
InChIKeyAQQPNMKTYGHVKF-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride 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

4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119553466
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119552359) is 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is CN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNC1.Cl.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is AQQPNMKTYGHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-19(12-7-8-18-10-12)15(20)4-2-3-11-5-6-13(16)14(17)9-11;/h5-6,9,12,18H,2-4,7-8,10H2,1H3;1H.
What are the key properties of 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119552359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).