4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C14H12Cl2N2O3 — CID 82877305

IUPAC4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C14H12Cl2N2O3/c1-7-13(14(20)21)11(6-17-7)18-12(19)5-8-2-3-9(15)10(16)4-8/h2-4,6,17H,5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPMQINDIWVMWMCT-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.51
Rot. Bonds4

About 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82877305) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82877305
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C14H12Cl2N2O3/c1-7-13(14(20)21)11(6-17-7)18-12(19)5-8-2-3-9(15)10(16)4-8/h2-4,6,17H,5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPMQINDIWVMWMCT-UHFFFAOYSA-N
XLogP3.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881248
4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880268
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
4-[(2,4-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881232
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63616145
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
CID 102979634
4-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881402
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82877305) is 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1C(=O)O.
What is the InChIKey of 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is PMQINDIWVMWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-7-13(14(20)21)11(6-17-7)18-12(19)5-8-2-3-9(15)10(16)4-8/h2-4,6,17H,5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 327.17 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82877305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).