5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide

C16H15ClN2O2 — CID 47024404

IUPAC5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10H2,1H3
InChIKeyYOWUHUMBHAMWOM-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.08
Rot. Bonds4

About 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 47024404) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID47024404
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10H2,1H3
InChIKeyYOWUHUMBHAMWOM-UHFFFAOYSA-N
XLogP4.08
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 62056822
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38805224
N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 32647564
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide (CID 47024404) is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide is CCN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is YOWUHUMBHAMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 47024404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).