2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

C23H28FN3O — CID 59401826

IUPAC2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)
InChIKeyPWLRRJAFPMHNQH-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.45
Rot. Bonds4

About 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401826) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401826
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)
InChIKeyPWLRRJAFPMHNQH-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]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

(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
CID 25229634
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopentanecarboxamide
CID 25264794
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380
5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401765
3,5-dichloro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401771
5-fluoro-2-methyl-N-[2-methyl-4-[(3S)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401793
5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401886
5-fluoro-2-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 67401728
N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 723431
RY796
CID 71719898
Cambridge id 5658614
CID 867569

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (CID 59401826) is 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is PWLRRJAFPMHNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28).
What are the key properties of 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).