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

C14H13ClN2O3 — CID 79331960

IUPAC2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-4-1-3-10(7-11)8-16-14(20)12-5-2-6-17(12)9-13(18)19/h1-7H,8-9H2,(H,16,20)(H,18,19)
InChIKeyNYGMWKGFURISFO-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.16
Rot. Bonds5

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

2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79331960) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79331960
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-4-1-3-10(7-11)8-16-14(20)12-5-2-6-17(12)9-13(18)19/h1-7H,8-9H2,(H,16,20)(H,18,19)
InChIKeyNYGMWKGFURISFO-UHFFFAOYSA-N
XLogP2.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
N-[(3,5-dichlorophenyl)methyl]-1-phenylpyrrole-2-carboxamide
CID 168950666
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
N-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876376
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid (CID 79331960) is 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is NYGMWKGFURISFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-4-1-3-10(7-11)8-16-14(20)12-5-2-6-17(12)9-13(18)19/h1-7H,8-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 292.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).