N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide

C19H18N2O — CID 20934546

IUPACN-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCC1
InChIInChI=1S/C19H18N2O/c22-19(14-5-3-6-14)20-16-10-8-13(9-11-16)18-12-15-4-1-2-7-17(15)21-18/h1-2,4,7-12,14,21H,3,5-6H2,(H,20,22)
InChIKeyXOONKNQDCOMTAZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.57
Rot. Bonds3

About N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide

N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide (PubChem CID 20934546) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
PubChem CID20934546
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCC1
InChIInChI=1S/C19H18N2O/c22-19(14-5-3-6-14)20-16-10-8-13(9-11-16)18-12-15-4-1-2-7-17(15)21-18/h1-2,4,7-12,14,21H,3,5-6H2,(H,20,22)
InChIKeyXOONKNQDCOMTAZ-UHFFFAOYSA-N
XLogP4.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241508
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
CID 59715101
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 25305180
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide (CID 20934546) is N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCC1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide?
The InChIKey is XOONKNQDCOMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(14-5-3-6-14)20-16-10-8-13(9-11-16)18-12-15-4-1-2-7-17(15)21-18/h1-2,4,7-12,14,21H,3,5-6H2,(H,20,22).
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide?
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide has a molecular weight of 290.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 20934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).