4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide

C16H15BrN2O2 — CID 61006134

IUPAC4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCOc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c17-12-6-2-3-7-13(12)19-16(15(18)20)9-10-21-14-8-4-1-5-11(14)16/h1-8,19H,9-10H2,(H2,18,20)
InChIKeyVYUWLZIKXJSGDE-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.02
Rot. Bonds3

About 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide

4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide (PubChem CID 61006134) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide
PubChem CID61006134
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCOc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c17-12-6-2-3-7-13(12)19-16(15(18)20)9-10-21-14-8-4-1-5-11(14)16/h1-8,19H,9-10H2,(H2,18,20)
InChIKeyVYUWLZIKXJSGDE-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide (CID 61006134) is 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide is NC(=O)C1(Nc2ccccc2Br)CCOc2ccccc21.
What is the InChIKey of 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide?
The InChIKey is VYUWLZIKXJSGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-6-2-3-7-13(12)19-16(15(18)20)9-10-21-14-8-4-1-5-11(14)16/h1-8,19H,9-10H2,(H2,18,20).
What are the key properties of 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide?
4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 61006134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).