6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide

C16H10BrClN2O2 — CID 1212142

IUPAC6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-
InChIKeyABBCGNRTCRQWMR-SILNSSARSA-N
MW377.63 g/mol
LogP4.18
Rot. Bonds2

About 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide

6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide (PubChem CID 1212142) has the molecular formula C16H10BrClN2O2 and a molecular weight of 377.63 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
PubChem CID1212142
Molecular FormulaC16H10BrClN2O2
Molecular Weight377.63 g/mol
Exact Mass375.96
IUPAC Name6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-
InChIKeyABBCGNRTCRQWMR-SILNSSARSA-N
XLogP4.18
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
6-bromo-2-phenyliminochromene-3-carboxamide
CID 747316
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
CID 4560210
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
methyl 4-[(3-carbamothioyl-6-chlorochromen-2-ylidene)amino]benzoate
CID 88899352
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367342
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
3-(3-bromophenyl)iminobenzo[f]chromene-2-carboxamide
CID 5041109
1-[6-chloro-2-(4-nitrophenyl)iminochromen-3-yl]ethanethione
CID 89402656

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide (CID 1212142) is 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide?
The InChIKey is ABBCGNRTCRQWMR-SILNSSARSA-N. The full InChI is InChI=1S/C16H10BrClN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-.
What are the key properties of 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide?
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide has a molecular weight of 377.63 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 1212142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).