N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide

C14H11Cl2F2N3O2 — CID 99796213

IUPACN-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C14H11Cl2F2N3O2/c1-6(22)19-10-4-8(17)9(18)5-11(10)20-14(23)12-3-7(15)13(16)21(12)2/h3-5H,1-2H3,(H,19,22)(H,20,23)
InChIKeyQFNWLSWKYHPKBT-UHFFFAOYSA-N
MW362.16 g/mol
LogP3.82
Rot. Bonds3

About N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide

N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide (PubChem CID 99796213) has the molecular formula C14H11Cl2F2N3O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
PubChem CID99796213
Molecular FormulaC14H11Cl2F2N3O2
Molecular Weight362.16 g/mol
Exact Mass361.02
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C14H11Cl2F2N3O2/c1-6(22)19-10-4-8(17)9(18)5-11(10)20-14(23)12-3-7(15)13(16)21(12)2/h3-5H,1-2H3,(H,19,22)(H,20,23)
InChIKeyQFNWLSWKYHPKBT-UHFFFAOYSA-N
XLogP3.82
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-fluorobenzoate
CID 78858549
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 55600384
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826732
4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 39900703
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-[4-[acetyl(methyl)amino]phenyl]-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 51127242
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114618630
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide (CID 99796213) is N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The InChIKey is QFNWLSWKYHPKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N3O2/c1-6(22)19-10-4-8(17)9(18)5-11(10)20-14(23)12-3-7(15)13(16)21(12)2/h3-5H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide has a molecular weight of 362.16 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 99796213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).