N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide

C19H19ClFN3O3 — CID 118958964

IUPACN-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)CC1
InChIInChI=1S/C19H19ClFN3O3/c1-11(25)24-7-5-13(6-8-24)23-19(27)16-9-12(10-22-16)18(26)17-14(20)3-2-4-15(17)21/h2-4,9-10,13,22H,5-8H2,1H3,(H,23,27)
InChIKeyPTBDBZVMROHMKX-UHFFFAOYSA-N
MW391.83 g/mol
LogP2.78
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide

N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 118958964) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID118958964
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)CC1
InChIInChI=1S/C19H19ClFN3O3/c1-11(25)24-7-5-13(6-8-24)23-19(27)16-9-12(10-22-16)18(26)17-14(20)3-2-4-15(17)21/h2-4,9-10,13,22H,5-8H2,1H3,(H,23,27)
InChIKeyPTBDBZVMROHMKX-UHFFFAOYSA-N
XLogP2.78
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-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

4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 118959101
4-(6-chloro-2-fluoro-3-methylbenzoyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 135130834
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610507
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610620
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
4-(2-chloro-6-fluorobenzoyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 134610371
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide (CID 118958964) is N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide is CC(=O)N1CCC(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PTBDBZVMROHMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-11(25)24-7-5-13(6-8-24)23-19(27)16-9-12(10-22-16)18(26)17-14(20)3-2-4-15(17)21/h2-4,9-10,13,22H,5-8H2,1H3,(H,23,27).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).