4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide

C17H12BrNO3 — CID 2675719

IUPAC4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C17H12BrNO3/c1-10-8-16(20)22-15-9-13(6-7-14(10)15)19-17(21)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,21)
InChIKeyPFXFCXISMKGRPA-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.12
Rot. Bonds2

About 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide

4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 2675719) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID2675719
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC Name4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C17H12BrNO3/c1-10-8-16(20)22-15-9-13(6-7-14(10)15)19-17(21)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,21)
InChIKeyPFXFCXISMKGRPA-UHFFFAOYSA-N
XLogP4.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699336

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 2675719) is 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide is Cc1cc(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12.
What is the InChIKey of 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is PFXFCXISMKGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c1-10-8-16(20)22-15-9-13(6-7-14(10)15)19-17(21)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,21).
What are the key properties of 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide?
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 358.19 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 2675719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).