6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide

C16H11BrN2O4 — CID 24618299

IUPAC6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C16H11BrN2O4/c17-12-4-5-15-10(7-12)6-11(9-23-15)16(20)18-13-2-1-3-14(8-13)19(21)22/h1-8H,9H2,(H,18,20)
InChIKeyMUYQDOAOOGUTGL-UHFFFAOYSA-N
MW375.18 g/mol
LogP3.77
Rot. Bonds3

About 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide

6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide (PubChem CID 24618299) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide
PubChem CID24618299
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C16H11BrN2O4/c17-12-4-5-15-10(7-12)6-11(9-23-15)16(20)18-13-2-1-3-14(8-13)19(21)22/h1-8H,9H2,(H,18,20)
InChIKeyMUYQDOAOOGUTGL-UHFFFAOYSA-N
XLogP3.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 43424540
N-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997874
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide (CID 24618299) is 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide?
The InChIKey is MUYQDOAOOGUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c17-12-4-5-15-10(7-12)6-11(9-23-15)16(20)18-13-2-1-3-14(8-13)19(21)22/h1-8H,9H2,(H,18,20).
What are the key properties of 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide?
6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide has a molecular weight of 375.18 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 24618299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).