(3-aminophenyl)-(1H-indol-3-yl)methanone

C15H12N2O — CID 19024726

IUPAC(3-aminophenyl)-(1H-indol-3-yl)methanone
SMILESNc1cccc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H12N2O/c16-11-5-3-4-10(8-11)15(18)13-9-17-14-7-2-1-6-12(13)14/h1-9,17H,16H2
InChIKeyTXWRQWQHSCFWAG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.98
Rot. Bonds2

About (3-aminophenyl)-(1H-indol-3-yl)methanone

(3-aminophenyl)-(1H-indol-3-yl)methanone (PubChem CID 19024726) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-aminophenyl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(1H-indol-3-yl)methanone
PubChem CID19024726
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(3-aminophenyl)-(1H-indol-3-yl)methanone
SMILESNc1cccc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H12N2O/c16-11-5-3-4-10(8-11)15(18)13-9-17-14-7-2-1-6-12(13)14/h1-9,17H,16H2
InChIKeyTXWRQWQHSCFWAG-UHFFFAOYSA-N
XLogP2.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
(3-aminophenyl)-phenylmethanone
CID 17817
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
CID 19024790
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
1H-indol-3-yl(10H-phenothiazin-3-yl)methanone
CID 71517525

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1H-indol-3-yl)methanone?
The IUPAC name of (3-aminophenyl)-(1H-indol-3-yl)methanone (CID 19024726) is (3-aminophenyl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(1H-indol-3-yl)methanone is Nc1cccc(C(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of (3-aminophenyl)-(1H-indol-3-yl)methanone?
The InChIKey is TXWRQWQHSCFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-11-5-3-4-10(8-11)15(18)13-9-17-14-7-2-1-6-12(13)14/h1-9,17H,16H2.
What are the key properties of (3-aminophenyl)-(1H-indol-3-yl)methanone?
(3-aminophenyl)-(1H-indol-3-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 19024726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).