2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid

C13H11ClN2O3 — CID 79325438

IUPAC2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)15-13(19)11-5-2-6-16(11)8-12(17)18/h1-7H,8H2,(H,15,19)(H,17,18)
InChIKeyYQONGMNOJDSDFB-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325438) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325438
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)15-13(19)11-5-2-6-16(11)8-12(17)18/h1-7H,8H2,(H,15,19)(H,17,18)
InChIKeyYQONGMNOJDSDFB-UHFFFAOYSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79331960
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325577
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325438) is 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is YQONGMNOJDSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)15-13(19)11-5-2-6-16(11)8-12(17)18/h1-7H,8H2,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 278.69 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).