4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid

C15H12ClNO3 — CID 122176392

IUPAC4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H12ClNO3/c1-9-6-12-14(20-9)7-13(15(18)19)17(12)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJXYCTFCSUJTMPZ-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.94
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid

4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 122176392) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
PubChem CID122176392
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H12ClNO3/c1-9-6-12-14(20-9)7-13(15(18)19)17(12)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJXYCTFCSUJTMPZ-UHFFFAOYSA-N
XLogP3.94
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid
CID 18405218
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791646
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
3-[(4-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062852
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7499190

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid (CID 122176392) is 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is JXYCTFCSUJTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-6-12-14(20-9)7-13(15(18)19)17(12)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 122176392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).