2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide

C23H15BrN2O3 — CID 4560210

IUPAC2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H15BrN2O3/c24-17-8-11-20-16(12-17)13-19(22(25)28)23(29-20)26-18-9-6-15(7-10-18)21(27)14-4-2-1-3-5-14/h1-13H,(H2,25,28)/b26-23-
InChIKeyAGIGPTJIMYODJC-RWEWTDSWSA-N
MW447.29 g/mol
LogP4.76
Rot. Bonds4

About 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide

2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide (PubChem CID 4560210) has the molecular formula C23H15BrN2O3 and a molecular weight of 447.29 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
PubChem CID4560210
Molecular FormulaC23H15BrN2O3
Molecular Weight447.29 g/mol
Exact Mass446.03
IUPAC Name2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H15BrN2O3/c24-17-8-11-20-16(12-17)13-19(22(25)28)23(29-20)26-18-9-6-15(7-10-18)21(27)14-4-2-1-3-5-14/h1-13H,(H2,25,28)/b26-23-
InChIKeyAGIGPTJIMYODJC-RWEWTDSWSA-N
XLogP4.76
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-phenyliminochromene-3-carboxamide
CID 747316
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
CID 1212142
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
3-(3-bromophenyl)iminobenzo[f]chromene-2-carboxamide
CID 5041109
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
ethyl 4-[[6-bromo-3-(oxolan-2-ylmethylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51366912

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide?
The IUPAC name of 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide (CID 4560210) is 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide.
What is the SMILES notation for 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide?
The canonical SMILES for 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide?
The InChIKey is AGIGPTJIMYODJC-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H15BrN2O3/c24-17-8-11-20-16(12-17)13-19(22(25)28)23(29-20)26-18-9-6-15(7-10-18)21(27)14-4-2-1-3-5-14/h1-13H,(H2,25,28)/b26-23-.
What are the key properties of 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide?
2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide has a molecular weight of 447.29 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide is sourced from PubChem (CID 4560210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).