N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide

C12H10Cl2N2O — CID 110863945

IUPACN-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H10Cl2N2O/c1-16-5-4-8(7-16)12(17)15-9-2-3-10(13)11(14)6-9/h2-7H,1H3,(H,15,17)
InChIKeyVKPBKXDTGIUURU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.58
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide

N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 110863945) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide
PubChem CID110863945
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC NameN-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H10Cl2N2O/c1-16-5-4-8(7-16)12(17)15-9-2-3-10(13)11(14)6-9/h2-7H,1H3,(H,15,17)
InChIKeyVKPBKXDTGIUURU-UHFFFAOYSA-N
XLogP3.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2524728
1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
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1-methyl-N-phenylpyrrole-3-carboxamide
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N-(3,4-dichlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704319
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
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2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
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N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide (CID 110863945) is N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is VKPBKXDTGIUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-16-5-4-8(7-16)12(17)15-9-2-3-10(13)11(14)6-9/h2-7H,1H3,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide?
N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 269.13 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110863945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).