N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide

C17H12BrNO4 — CID 5262383

IUPACN-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2c1
InChIInChI=1S/C17H12BrNO4/c1-22-13-7-2-10-8-14(17(21)23-15(10)9-13)16(20)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyUYEFICABCBRROH-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.82
Rot. Bonds3

About N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide

N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 5262383) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID5262383
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC NameN-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2c1
InChIInChI=1S/C17H12BrNO4/c1-22-13-7-2-10-8-14(17(21)23-15(10)9-13)16(20)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyUYEFICABCBRROH-UHFFFAOYSA-N
XLogP3.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262140
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide (CID 5262383) is N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2c1.
What is the InChIKey of N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is UYEFICABCBRROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c1-22-13-7-2-10-8-14(17(21)23-15(10)9-13)16(20)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide?
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).