N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide

C17H21Cl2N3O2 — CID 89489635

IUPACN-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O
InChIInChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
InChIKeyFUAFRCMPVMWVPP-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.38
Rot. Bonds7

About N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489635) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489635
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O
InChIInChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
InChIKeyFUAFRCMPVMWVPP-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10453927
4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid [3-(3,4-dichlorophenyl)-propyl]-amide
CID 54704622
N-(4-(3,4-dichlorophenyl)butan-2-yl)-1-ethyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 86728184
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489436
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-5-oxo-4-(2-propan-2-yloxyethylamino)-2H-pyrrole-3-carboxamide
CID 90314195
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-5-oxo-4-(3-piperidin-1-ylpropylamino)-2H-pyrrole-3-carboxamide
CID 90315197
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-propyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10022599
2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide
CID 44241632
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-N-(3,4-dichlorophenethyl)-3-methylbutanamide
CID 44418229
(E)-N-[(3S)-1-[5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]pentyl]pyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 44533700
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-hexyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10364868
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10383281

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide (CID 89489635) is N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide is CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is FUAFRCMPVMWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).