(2-amino-9H-carbazol-1-yl)-phenylmethanone

C19H14N2O — CID 154352677

IUPAC(2-amino-9H-carbazol-1-yl)-phenylmethanone
SMILESNc1ccc2c([nH]c3ccccc32)c1C(=O)c1ccccc1
InChIInChI=1S/C19H14N2O/c20-15-11-10-14-13-8-4-5-9-16(13)21-18(14)17(15)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2
InChIKeyLRNLXDJRDDIQMT-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.13
Rot. Bonds2

About (2-amino-9H-carbazol-1-yl)-phenylmethanone

(2-amino-9H-carbazol-1-yl)-phenylmethanone (PubChem CID 154352677) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-amino-9H-carbazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-9H-carbazol-1-yl)-phenylmethanone
PubChem CID154352677
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name(2-amino-9H-carbazol-1-yl)-phenylmethanone
SMILESNc1ccc2c([nH]c3ccccc32)c1C(=O)c1ccccc1
InChIInChI=1S/C19H14N2O/c20-15-11-10-14-13-8-4-5-9-16(13)21-18(14)17(15)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2
InChIKeyLRNLXDJRDDIQMT-UHFFFAOYSA-N
XLogP4.13
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-phenylmethanone iodide
CID 127040471
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
benzoic acid;9H-carbazole
CID 162147282
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
9H-carbazole;carbonic acid
CID 67577328
N-(9H-carbazol-1-yl)benzamide
CID 138533611
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068

Frequently Asked Questions

What is the IUPAC name of (2-amino-9H-carbazol-1-yl)-phenylmethanone?
The IUPAC name of (2-amino-9H-carbazol-1-yl)-phenylmethanone (CID 154352677) is (2-amino-9H-carbazol-1-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-9H-carbazol-1-yl)-phenylmethanone?
The canonical SMILES for (2-amino-9H-carbazol-1-yl)-phenylmethanone is Nc1ccc2c([nH]c3ccccc32)c1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-9H-carbazol-1-yl)-phenylmethanone?
The InChIKey is LRNLXDJRDDIQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-15-11-10-14-13-8-4-5-9-16(13)21-18(14)17(15)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2.
What are the key properties of (2-amino-9H-carbazol-1-yl)-phenylmethanone?
(2-amino-9H-carbazol-1-yl)-phenylmethanone has a molecular weight of 286.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-9H-carbazol-1-yl)-phenylmethanone is sourced from PubChem (CID 154352677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).