3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

C32H38FN5O2 — CID 130372829

IUPAC3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3)cc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C32H38FN5O2/c1-24-9-2-5-12-29(24)37-19-21-38(22-20-37)30-14-13-25(31(39)34-15-8-18-36-16-6-7-17-36)23-28(30)35-32(40)26-10-3-4-11-27(26)33/h2-5,9-14,23H,6-8,15-22H2,1H3,(H,34,39)(H,35,40)
InChIKeyNSBXVHXMEAKYMH-UHFFFAOYSA-N
MW543.69 g/mol
LogP4.93
Rot. Bonds9

About 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 130372829) has the molecular formula C32H38FN5O2 and a molecular weight of 543.69 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID130372829
Molecular FormulaC32H38FN5O2
Molecular Weight543.69 g/mol
Exact Mass543.30
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3)cc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C32H38FN5O2/c1-24-9-2-5-12-29(24)37-19-21-38(22-20-37)30-14-13-25(31(39)34-15-8-18-36-16-6-7-17-36)23-28(30)35-32(40)26-10-3-4-11-27(26)33/h2-5,9-14,23H,6-8,15-22H2,1H3,(H,34,39)(H,35,40)
InChIKeyNSBXVHXMEAKYMH-UHFFFAOYSA-N
XLogP4.93
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.69
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)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

4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 71224768
5-fluoro-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]pyridine-2-carboxamide
CID 71234010
5-bromo-N-[5-[3-(2,5-dihydroxypyrrol-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 123310777
3-[(2,4-dimethoxybenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71233946
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 71234074
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 130372949
N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 126498858
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-5-propan-2-ylthiophene-3-carboxamide
CID 71234088
tert-butyl 4-[2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55991289
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 130372829) is 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3)cc2NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is NSBXVHXMEAKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN5O2/c1-24-9-2-5-12-29(24)37-19-21-38(22-20-37)30-14-13-25(31(39)34-15-8-18-36-16-6-7-17-36)23-28(30)35-32(40)26-10-3-4-11-27(26)33/h2-5,9-14,23H,6-8,15-22H2,1H3,(H,34,39)(H,35,40).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 543.69 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 130372829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).