2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

C19H22Cl2N2O2 — CID 90306288

IUPAC2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CC2)N1C
InChIInChI=1S/C19H22Cl2N2O2/c1-11-18(24)16(17(23(11)2)13-6-7-13)19(25)22-9-3-4-12-5-8-14(20)15(21)10-12/h5,8,10,13,17,24H,1,3-4,6-7,9H2,2H3,(H,22,25)
InChIKeyVGGYODDXUOYZIC-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.09
Rot. Bonds6

About 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (PubChem CID 90306288) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
PubChem CID90306288
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CC2)N1C
InChIInChI=1S/C19H22Cl2N2O2/c1-11-18(24)16(17(23(11)2)13-6-7-13)19(25)22-9-3-4-12-5-8-14(20)15(21)10-12/h5,8,10,13,17,24H,1,3-4,6-7,9H2,2H3,(H,22,25)
InChIKeyVGGYODDXUOYZIC-UHFFFAOYSA-N
XLogP4.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.09
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

2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306283
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306289
N-[3-(3,4-dichlorophenyl)propyl]-2-(4-fluorophenyl)-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306386
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
CID 118457366
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-[2-[4-(1-hydroxyethenyl)phenyl]ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90306376
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(5-methylhexyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 158847179
N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
CID 71547881
1-[2-[acetyl(methyl)amino]ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 118014439
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306327
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489429
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxamide
CID 89489395

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (CID 90306288) is 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is C=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CC2)N1C.
What is the InChIKey of 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The InChIKey is VGGYODDXUOYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-11-18(24)16(17(23(11)2)13-6-7-13)19(25)22-9-3-4-12-5-8-14(20)15(21)10-12/h5,8,10,13,17,24H,1,3-4,6-7,9H2,2H3,(H,22,25).
What are the key properties of 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90306288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).