(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone

C20H15FN2O2 — CID 53374734

IUPAC(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
SMILESCOc1cccc2ccc3[nH]c(C(=O)c4ccc(N)c(F)c4)cc3c12
InChIInChI=1S/C20H15FN2O2/c1-25-18-4-2-3-11-6-8-16-13(19(11)18)10-17(23-16)20(24)12-5-7-15(22)14(21)9-12/h2-10,23H,22H2,1H3
InChIKeyBCAQZORMFUKUDA-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.28
Rot. Bonds3

About (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone

(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone (PubChem CID 53374734) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
PubChem CID53374734
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
SMILESCOc1cccc2ccc3[nH]c(C(=O)c4ccc(N)c(F)c4)cc3c12
InChIInChI=1S/C20H15FN2O2/c1-25-18-4-2-3-11-6-8-16-13(19(11)18)10-17(23-16)20(24)12-5-7-15(22)14(21)9-12/h2-10,23H,22H2,1H3
InChIKeyBCAQZORMFUKUDA-UHFFFAOYSA-N
XLogP4.28
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone (CID 53374734) is (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone is COc1cccc2ccc3[nH]c(C(=O)c4ccc(N)c(F)c4)cc3c12.
What is the InChIKey of (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone?
The InChIKey is BCAQZORMFUKUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-25-18-4-2-3-11-6-8-16-13(19(11)18)10-17(23-16)20(24)12-5-7-15(22)14(21)9-12/h2-10,23H,22H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone?
(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone has a molecular weight of 334.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone is sourced from PubChem (CID 53374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).