6-bromo-2-phenyliminochromene-3-carboxamide

C16H11BrN2O2 — CID 747316

IUPAC6-bromo-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-
InChIKeyXLILVUNUNXDGMZ-MNDPQUGUSA-N
MW343.18 g/mol
LogP3.53
Rot. Bonds2

About 6-bromo-2-phenyliminochromene-3-carboxamide

6-bromo-2-phenyliminochromene-3-carboxamide (PubChem CID 747316) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-bromo-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-phenyliminochromene-3-carboxamide
PubChem CID747316
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name6-bromo-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-
InChIKeyXLILVUNUNXDGMZ-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-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
CID 4560210
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
CID 1212142
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
3-(3-bromophenyl)iminobenzo[f]chromene-2-carboxamide
CID 5041109
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 6-bromo-2-phenyliminochromene-3-carboxamide (CID 747316) is 6-bromo-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-phenyliminochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1.
What is the InChIKey of 6-bromo-2-phenyliminochromene-3-carboxamide?
The InChIKey is XLILVUNUNXDGMZ-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-.
What are the key properties of 6-bromo-2-phenyliminochromene-3-carboxamide?
6-bromo-2-phenyliminochromene-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 6-bromo-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).