4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C19H22F2N2O3 — CID 60504904

IUPAC4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(OC(F)F)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H22F2N2O3/c1-5-15-16(12(4)24)11(3)22-17(15)18(25)23-10(2)13-6-8-14(9-7-13)26-19(20)21/h6-10,19,22H,5H2,1-4H3,(H,23,25)
InChIKeyYZRIXXOOAVSGMU-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.18
Rot. Bonds7

About 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60504904) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID60504904
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(OC(F)F)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H22F2N2O3/c1-5-15-16(12(4)24)11(3)22-17(15)18(25)23-10(2)13-6-8-14(9-7-13)26-19(20)21/h6-10,19,22H,5H2,1-4H3,(H,23,25)
InChIKeyYZRIXXOOAVSGMU-UHFFFAOYSA-N
XLogP4.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-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

4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134043470
4-acetyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 94439243
methyl (2R)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylacetate
CID 95295438
methyl 3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(4-chlorophenyl)propanoate
CID 55821974
4-acetyl-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55949481
4-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119526236
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170
4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
CID 86956197
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
4-acetyl-N-[1-(3,4-dipropoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46653449
(2S)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 120614754
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110910143

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 60504904) is 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC(C)c2ccc(OC(F)F)cc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is YZRIXXOOAVSGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-5-15-16(12(4)24)11(3)22-17(15)18(25)23-10(2)13-6-8-14(9-7-13)26-19(20)21/h6-10,19,22H,5H2,1-4H3,(H,23,25).
What are the key properties of 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60504904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).