3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide

C20H17ClN2O2 — CID 55971333

IUPAC3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2[nH]c3ccccc3c2Cl)oc2ccccc12
InChIInChI=1S/C20H17ClN2O2/c1-11-13-7-4-6-10-16(13)25-19(11)12(2)22-20(24)18-17(21)14-8-3-5-9-15(14)23-18/h3-10,12,23H,1-2H3,(H,22,24)
InChIKeyYVBVSANFAOFIJP-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.37
Rot. Bonds3

About 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide

3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55971333) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID55971333
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1c(C(C)NC(=O)c2[nH]c3ccccc3c2Cl)oc2ccccc12
InChIInChI=1S/C20H17ClN2O2/c1-11-13-7-4-6-10-16(13)25-19(11)12(2)22-20(24)18-17(21)14-8-3-5-9-15(14)23-18/h3-10,12,23H,1-2H3,(H,22,24)
InChIKeyYVBVSANFAOFIJP-UHFFFAOYSA-N
XLogP5.37
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 52520664
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 112837432
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55808093
N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
CID 55728962

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide (CID 55971333) is 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide is Cc1c(C(C)NC(=O)c2[nH]c3ccccc3c2Cl)oc2ccccc12.
What is the InChIKey of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is YVBVSANFAOFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-11-13-7-4-6-10-16(13)25-19(11)12(2)22-20(24)18-17(21)14-8-3-5-9-15(14)23-18/h3-10,12,23H,1-2H3,(H,22,24).
What are the key properties of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide?
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55971333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).