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

C16H11BrN2O2 — CID 899327

IUPAC2-(2-bromophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1ccccc1Br
InChIInChI=1S/C16H11BrN2O2/c17-12-6-2-3-7-13(12)19-16-11(15(18)20)9-10-5-1-4-8-14(10)21-16/h1-9H,(H2,18,20)/b19-16-
InChIKeyVKADEYJXIPPNFN-MNDPQUGUSA-N
MW343.18 g/mol
LogP3.53
Rot. Bonds2

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

2-(2-bromophenyl)iminochromene-3-carboxamide (PubChem CID 899327) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromophenyl)iminochromene-3-carboxamide
PubChem CID899327
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(2-bromophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1ccccc1Br
InChIInChI=1S/C16H11BrN2O2/c17-12-6-2-3-7-13(12)19-16-11(15(18)20)9-10-5-1-4-8-14(10)21-16/h1-9H,(H2,18,20)/b19-16-
InChIKeyVKADEYJXIPPNFN-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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Related Compounds

2-imino-N-phenyl-2H-chromene-3-carboxamide
CID 739354
(2E)-2-[(2,5-difluorophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide
CID 3641950
(2Z)-2-(benzylimino)-6-bromo-2H-chromene-3-carboxamide
CID 3487564
7-Methoxy-2-phenylimino-1-benzopyran-3-carboxamide
CID 3965509
(2Z)-2-[(3-fluorophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide
CID 2324153
(2Z)-6-bromo-2-[(2,4-difluorophenyl)imino]-2H-chromene-3-carboxamide
CID 3654810
6-bromo-2-imino-N-(2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 4234828
(2Z)-2-(phenylimino)-2H-chromene-3-carboxamide
CID 395970
(2Z)-2-[(4-methoxyphenyl)imino]-2H-chromene-3-carboxamide
CID 395973
6-methoxy-2-(phenylimino)-2H-chromene-3-carboxamide
CID 395974
(2Z)-2-[(2-fluorophenyl)imino]-2H-chromene-3-carboxamide
CID 397116
(2z)-2-[(4-Fluorophenyl)imino]-6-methoxy-2h-chromene-3-carboxamide
CID 397117

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)iminochromene-3-carboxamide?
The IUPAC name of 2-(2-bromophenyl)iminochromene-3-carboxamide (CID 899327) is 2-(2-bromophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 2-(2-bromophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 2-(2-bromophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)iminochromene-3-carboxamide?
The InChIKey is VKADEYJXIPPNFN-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-12-6-2-3-7-13(12)19-16-11(15(18)20)9-10-5-1-4-8-14(10)21-16/h1-9H,(H2,18,20)/b19-16-.
What are the key properties of 2-(2-bromophenyl)iminochromene-3-carboxamide?
2-(2-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-(2-bromophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 899327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).