N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide

C22H22FN5O — CID 141484612

IUPACN-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1c[nH]c2cc(F)ccc12)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN5O/c1-3-27(11-8-16-14-24-20-13-17(23)5-6-18(16)20)22(29)19-12-15(2)4-7-21(19)28-25-9-10-26-28/h4-7,9-10,12-14,24H,3,8,11H2,1-2H3
InChIKeyZDHCFXQSCXPDDW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.90
Rot. Bonds6

About N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 141484612) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID141484612
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1c[nH]c2cc(F)ccc12)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN5O/c1-3-27(11-8-16-14-24-20-13-17(23)5-6-18(16)20)22(29)19-12-15(2)4-7-21(19)28-25-9-10-26-28/h4-7,9-10,12-14,24H,3,8,11H2,1-2H3
InChIKeyZDHCFXQSCXPDDW-UHFFFAOYSA-N
XLogP3.90
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-[ethyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]ethyl]-5-fluoroindole-1-carboxylate
CID 141484641
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232481
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 141484612) is N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCc1c[nH]c2cc(F)ccc12)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is ZDHCFXQSCXPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-3-27(11-8-16-14-24-20-13-17(23)5-6-18(16)20)22(29)19-12-15(2)4-7-21(19)28-25-9-10-26-28/h4-7,9-10,12-14,24H,3,8,11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 141484612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).