N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide

C21H18N2O — CID 146481056

IUPACN-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide
SMILESO=C(NC1CC=CC=C1c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(15-8-2-1-3-9-15)23-19-13-7-5-11-17(19)20-14-16-10-4-6-12-18(16)22-20/h1-12,14,19,22H,13H2,(H,23,24)
InChIKeyARNHRQQBZQSVQR-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.31
Rot. Bonds3

About N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide

N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide (PubChem CID 146481056) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide
PubChem CID146481056
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide
SMILESO=C(NC1CC=CC=C1c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(15-8-2-1-3-9-15)23-19-13-7-5-11-17(19)20-14-16-10-4-6-12-18(16)22-20/h1-12,14,19,22H,13H2,(H,23,24)
InChIKeyARNHRQQBZQSVQR-UHFFFAOYSA-N
XLogP4.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-3-(1H-indol-2-yl)cyclohexa-3,5-diene-1,2-diol
CID 101216885
2-cyclohexa-1,3-dien-1-yl-1H-indole
CID 91429074
N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide
CID 152798199
methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-2-carboxamide;hydrochloride
CID 141145124
N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide
CID 4743211
2-(2-hydroxyphenyl)-1H-indole-5-carboxylic acid
CID 54131699
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide?
The IUPAC name of N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide (CID 146481056) is N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide is O=C(NC1CC=CC=C1c1cc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide?
The InChIKey is ARNHRQQBZQSVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(15-8-2-1-3-9-15)23-19-13-7-5-11-17(19)20-14-16-10-4-6-12-18(16)22-20/h1-12,14,19,22H,13H2,(H,23,24).
What are the key properties of N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide?
N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)cyclohexa-2,4-dien-1-yl]benzamide is sourced from PubChem (CID 146481056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).