1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

C19H22Cl2N2O3 — CID 90314980

IUPAC1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC2CC2)C1
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13,24H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyKCYBWEYTQHKNNA-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.49
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90314980) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90314980
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC2CC2)C1
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13,24H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyKCYBWEYTQHKNNA-UHFFFAOYSA-N
XLogP3.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 89489460
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-(3-hydroxybut-3-enyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306356
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90314371
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123183712
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89480017
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4,4,4-trifluorobutanoic acid
CID 90314453
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489676
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(5-methylhexyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 158847179
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 154473217
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-[(2S)-2-phenylpropyl]-2H-pyrrole-3-carboxamide
CID 90302376
1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
CID 71544458

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 90314980) is 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is KCYBWEYTQHKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13,24H,2-5,9-10H2,1H3,(H,22,25).
What are the key properties of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 397.30 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90314980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).