3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide

C19H14BrN3O2 — CID 3548444

IUPAC3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-12H,(H,22,24)(H,21,23,25)
InChIKeySXQPPUJEBMDIDI-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.35
Rot. Bonds4

About 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide

3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide (PubChem CID 3548444) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
PubChem CID3548444
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-12H,(H,22,24)(H,21,23,25)
InChIKeySXQPPUJEBMDIDI-UHFFFAOYSA-N
XLogP4.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
CID 150802976
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[[4-(octanoylamino)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 4913337
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 120799452
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 60617260
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide (CID 3548444) is 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide is O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The InChIKey is SXQPPUJEBMDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-12H,(H,22,24)(H,21,23,25).
What are the key properties of 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide?
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide has a molecular weight of 396.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 3548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).