2-(4-bromophenyl)iminochromene-3-carboxamide

C16H11BrN2O2 — CID 2054745

IUPAC2-(4-bromophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2/c17-11-5-7-12(8-6-11)19-16-13(15(18)20)9-10-3-1-2-4-14(10)21-16/h1-9H,(H2,18,20)/b19-16-
InChIKeyXCIZPPVSVXPVDV-MNDPQUGUSA-N
MW343.18 g/mol
LogP3.53
Rot. Bonds2

About 2-(4-bromophenyl)iminochromene-3-carboxamide

2-(4-bromophenyl)iminochromene-3-carboxamide (PubChem CID 2054745) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)iminochromene-3-carboxamide
PubChem CID2054745
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2/c17-11-5-7-12(8-6-11)19-16-13(15(18)20)9-10-3-1-2-4-14(10)21-16/h1-9H,(H2,18,20)/b19-16-
InChIKeyXCIZPPVSVXPVDV-MNDPQUGUSA-N
XLogP3.53
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)iminochromene-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)iminochromene-3-carboxamide (CID 2054745) is 2-(4-bromophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)iminochromene-3-carboxamide?
The InChIKey is XCIZPPVSVXPVDV-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-11-5-7-12(8-6-11)19-16-13(15(18)20)9-10-3-1-2-4-14(10)21-16/h1-9H,(H2,18,20)/b19-16-.
What are the key properties of 2-(4-bromophenyl)iminochromene-3-carboxamide?
2-(4-bromophenyl)iminochromene-3-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 2054745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).