N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

C22H19ClN2O2 — CID 42791646

IUPACN-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3ccccc3)n2Cc2ccccc2Cl)o1
InChIInChI=1S/C22H19ClN2O2/c1-15-11-19-21(27-15)12-20(22(26)24-13-16-7-3-2-4-8-16)25(19)14-17-9-5-6-10-18(17)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyOMOJREZJLCMRSM-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.17
Rot. Bonds5

About N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791646) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID42791646
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3ccccc3)n2Cc2ccccc2Cl)o1
InChIInChI=1S/C22H19ClN2O2/c1-15-11-19-21(27-15)12-20(22(26)24-13-16-7-3-2-4-8-16)25(19)14-17-9-5-6-10-18(17)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyOMOJREZJLCMRSM-UHFFFAOYSA-N
XLogP5.17
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791477
4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 91959049
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791623
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 42791646) is N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCc3ccccc3)n2Cc2ccccc2Cl)o1.
What is the InChIKey of N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OMOJREZJLCMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-11-19-21(27-15)12-20(22(26)24-13-16-7-3-2-4-8-16)25(19)14-17-9-5-6-10-18(17)23/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).