N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene

C24H22ClFN4O2 — CID 171539568

IUPACN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1c[nH]c(-c2ccc[nH]2)c1-c1ccccc1F
InChIInChI=1S/C18H17FN4O2.C6H5Cl/c19-13-5-2-1-4-11(13)16-12(18(25)22-9-7-15(20)24)10-23-17(16)14-6-3-8-21-14;7-6-4-2-1-3-5-6/h1-6,8,10,21,23H,7,9H2,(H2,20,24)(H,22,25);1-5H
InChIKeySONLJSDNFMVQFV-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.76
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene

N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene (PubChem CID 171539568) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
PubChem CID171539568
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1c[nH]c(-c2ccc[nH]2)c1-c1ccccc1F
InChIInChI=1S/C18H17FN4O2.C6H5Cl/c19-13-5-2-1-4-11(13)16-12(18(25)22-9-7-15(20)24)10-23-17(16)14-6-3-8-21-14;7-6-4-2-1-3-5-6/h1-6,8,10,21,23H,7,9H2,(H2,20,24)(H,22,25);1-5H
InChIKeySONLJSDNFMVQFV-UHFFFAOYSA-N
XLogP4.76
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene 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

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene
CID 171539117
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-(2-phenylacetyl)-1H-pyrrole-3-carboxamide
CID 171540080
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 171539942
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539298
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene (CID 171539568) is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene is Clc1ccccc1.NC(=O)CCNC(=O)c1c[nH]c(-c2ccc[nH]2)c1-c1ccccc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene?
The InChIKey is SONLJSDNFMVQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2.C6H5Cl/c19-13-5-2-1-4-11(13)16-12(18(25)22-9-7-15(20)24)10-23-17(16)14-6-3-8-21-14;7-6-4-2-1-3-5-6/h1-6,8,10,21,23H,7,9H2,(H2,20,24)(H,22,25);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene has a molecular weight of 452.92 g/mol, XLogP of 4.76, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene is sourced from PubChem (CID 171539568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).