1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide

C22H20BrN3O4 — CID 60544490

IUPAC1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc3cccc(Br)c3o2)CC1
InChIInChI=1S/C22H20BrN3O4/c23-16-6-3-4-14-12-18(30-19(14)16)21(28)25-17-7-2-1-5-15(17)22(29)26-10-8-13(9-11-26)20(24)27/h1-7,12-13H,8-11H2,(H2,24,27)(H,25,28)
InChIKeyUWJWZQUOUJPDSM-UHFFFAOYSA-N
MW470.32 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide

1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 60544490) has the molecular formula C22H20BrN3O4 and a molecular weight of 470.32 g/mol. Its IUPAC name is 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID60544490
Molecular FormulaC22H20BrN3O4
Molecular Weight470.32 g/mol
Exact Mass469.06
IUPAC Name1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc3cccc(Br)c3o2)CC1
InChIInChI=1S/C22H20BrN3O4/c23-16-6-3-4-14-12-18(30-19(14)16)21(28)25-17-7-2-1-5-15(17)22(29)26-10-8-13(9-11-26)20(24)27/h1-7,12-13H,8-11H2,(H2,24,27)(H,25,28)
InChIKeyUWJWZQUOUJPDSM-UHFFFAOYSA-N
XLogP3.79
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581945
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
CID 119718652
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide (CID 60544490) is 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc3cccc(Br)c3o2)CC1.
What is the InChIKey of 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is UWJWZQUOUJPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4/c23-16-6-3-4-14-12-18(30-19(14)16)21(28)25-17-7-2-1-5-15(17)22(29)26-10-8-13(9-11-26)20(24)27/h1-7,12-13H,8-11H2,(H2,24,27)(H,25,28).
What are the key properties of 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide?
1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 470.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 60544490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).