4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide

C13H12Cl2N2O2 — CID 61497972

IUPAC4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2CO)cc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17-11(6-9(14)12(17)15)13(19)16-10-5-3-2-4-8(10)7-18/h2-6,18H,7H2,1H3,(H,16,19)
InChIKeyDAFAEBCFNUCHLP-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.08
Rot. Bonds3

About 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61497972) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID61497972
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2CO)cc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17-11(6-9(14)12(17)15)13(19)16-10-5-3-2-4-8(10)7-18/h2-6,18H,7H2,1H3,(H,16,19)
InChIKeyDAFAEBCFNUCHLP-UHFFFAOYSA-N
XLogP3.08
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 64884680
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 55667321
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
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
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103604554
methyl 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-fluorobenzoate
CID 78858549
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 61497972) is 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2CO)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DAFAEBCFNUCHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-17-11(6-9(14)12(17)15)13(19)16-10-5-3-2-4-8(10)7-18/h2-6,18H,7H2,1H3,(H,16,19).
What are the key properties of 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61497972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).