N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide

C18H11BrF2N2O3 — CID 1223671

IUPACN-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C18H11BrF2N2O3/c1-9(24)22-17(25)13-7-10-6-11(19)2-5-16(10)26-18(13)23-15-4-3-12(20)8-14(15)21/h2-8H,1H3,(H,22,24,25)/b23-18-
InChIKeyJNZFAUMAYXLBJO-NKFKGCMQSA-N
MW421.20 g/mol
LogP3.98
Rot. Bonds2

About N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide

N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide (PubChem CID 1223671) has the molecular formula C18H11BrF2N2O3 and a molecular weight of 421.20 g/mol. Its IUPAC name is N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
PubChem CID1223671
Molecular FormulaC18H11BrF2N2O3
Molecular Weight421.20 g/mol
Exact Mass419.99
IUPAC NameN-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C18H11BrF2N2O3/c1-9(24)22-17(25)13-7-10-6-11(19)2-5-16(10)26-18(13)23-15-4-3-12(20)8-14(15)21/h2-8H,1H3,(H,22,24,25)/b23-18-
InChIKeyJNZFAUMAYXLBJO-NKFKGCMQSA-N
XLogP3.98
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184857
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
6-bromo-2-(3-fluoro-2-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366947
[(Z)-[3-(acetylcarbamoyl)-6-chlorochromen-2-ylidene]amino] acetate
CID 154884101
2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631702
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 2484379

Frequently Asked Questions

What is the IUPAC name of N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide (CID 1223671) is N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide is CC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F.
What is the InChIKey of N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The InChIKey is JNZFAUMAYXLBJO-NKFKGCMQSA-N. The full InChI is InChI=1S/C18H11BrF2N2O3/c1-9(24)22-17(25)13-7-10-6-11(19)2-5-16(10)26-18(13)23-15-4-3-12(20)8-14(15)21/h2-8H,1H3,(H,22,24,25)/b23-18-.
What are the key properties of N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide has a molecular weight of 421.20 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 1223671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).