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

C22H29Cl2N3O4 — CID 90314371

IUPACN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(C)CC(=O)NCCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C22H29Cl2N3O4/c1-13(2)10-19(28)25-8-9-27-12-16(20(29)22(27)31)21(30)26-14(3)4-5-15-6-7-17(23)18(24)11-15/h6-7,11,13-14,29H,4-5,8-10,12H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyMQDDFFPMPURMEG-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.25
Rot. Bonds10

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

N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90314371) has the molecular formula C22H29Cl2N3O4 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90314371
Molecular FormulaC22H29Cl2N3O4
Molecular Weight470.40 g/mol
Exact Mass469.15
IUPAC NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(C)CC(=O)NCCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C22H29Cl2N3O4/c1-13(2)10-19(28)25-8-9-27-12-16(20(29)22(27)31)21(30)26-14(3)4-5-15-6-7-17(23)18(24)11-15/h6-7,11,13-14,29H,4-5,8-10,12H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyMQDDFFPMPURMEG-UHFFFAOYSA-N
XLogP3.25
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-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

N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-(3-hydroxybut-3-enyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306356
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]-1-[2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489676
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90314980
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
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(5-methylhexyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 158847179
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4,4,4-trifluorobutanoic acid
CID 90314453
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]-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-[(2S)-2-phenylpropyl]-2H-pyrrole-3-carboxamide
CID 90302376

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 90314371) is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is CC(C)CC(=O)NCCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is MQDDFFPMPURMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O4/c1-13(2)10-19(28)25-8-9-27-12-16(20(29)22(27)31)21(30)26-14(3)4-5-15-6-7-17(23)18(24)11-15/h6-7,11,13-14,29H,4-5,8-10,12H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 3.25, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-[2-(3-methylbutanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90314371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).