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

C18H13BrN2O3 — CID 4260167

IUPAC2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
SMILESCC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1
InChIInChI=1S/C18H13BrN2O3/c1-10(22)11-2-5-14(6-3-11)21-18-15(17(20)23)9-12-8-13(19)4-7-16(12)24-18/h2-9H,1H3,(H2,20,23)/b21-18-
InChIKeyKZGUQLVJCBSEMK-UZYVYHOESA-N
MW385.22 g/mol
LogP3.73
Rot. Bonds3

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

2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide (PubChem CID 4260167) has the molecular formula C18H13BrN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
PubChem CID4260167
Molecular FormulaC18H13BrN2O3
Molecular Weight385.22 g/mol
Exact Mass384.01
IUPAC Name2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
SMILESCC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1
InChIInChI=1S/C18H13BrN2O3/c1-10(22)11-2-5-14(6-3-11)21-18-15(17(20)23)9-12-8-13(19)4-7-16(12)24-18/h2-9H,1H3,(H2,20,23)/b21-18-
InChIKeyKZGUQLVJCBSEMK-UZYVYHOESA-N
XLogP3.73
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenyliminochromene-3-carboxamide
CID 747316
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
ethyl 4-[[6-bromo-3-(oxolan-2-ylmethylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51366912
methyl 4-[(3-carbamothioyl-6-chlorochromen-2-ylidene)amino]benzoate
CID 88899352
6-bromo-2-(4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184750

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide?
The IUPAC name of 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide (CID 4260167) is 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide.
What is the SMILES notation for 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide?
The canonical SMILES for 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide is CC(=O)c1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1.
What is the InChIKey of 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide?
The InChIKey is KZGUQLVJCBSEMK-UZYVYHOESA-N. The full InChI is InChI=1S/C18H13BrN2O3/c1-10(22)11-2-5-14(6-3-11)21-18-15(17(20)23)9-12-8-13(19)4-7-16(12)24-18/h2-9H,1H3,(H2,20,23)/b21-18-.
What are the key properties of 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide?
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide has a molecular weight of 385.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide is sourced from PubChem (CID 4260167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).