4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid

C19H17ClN2O2 — CID 162039743

IUPAC4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-16(19(23)24)17(21)18(14-5-3-2-4-6-14)22(12)11-13-7-9-15(20)10-8-13/h2-10H,11,21H2,1H3,(H,23,24)
InChIKeyAHNQZBHWEQGTQO-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.45
Rot. Bonds4

About 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid

4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid (PubChem CID 162039743) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
PubChem CID162039743
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-16(19(23)24)17(21)18(14-5-3-2-4-6-14)22(12)11-13-7-9-15(20)10-8-13/h2-10H,11,21H2,1H3,(H,23,24)
InChIKeyAHNQZBHWEQGTQO-UHFFFAOYSA-N
XLogP4.45
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 28805977
1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone
CID 12789006
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 20878996
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
1-[(3-chlorophenyl)methyl]-4-[[(4-chlorophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957688
1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 58306715
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
ethyl 1-benzyl-4-[(4-chlorophenyl)methylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 43954507
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid (CID 162039743) is 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The InChIKey is AHNQZBHWEQGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-16(19(23)24)17(21)18(14-5-3-2-4-6-14)22(12)11-13-7-9-15(20)10-8-13/h2-10H,11,21H2,1H3,(H,23,24).
What are the key properties of 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid?
4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid has a molecular weight of 340.81 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 162039743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).