5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide

C13H11BrN2O3 — CID 75423881

IUPAC5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccc(Br)c2)o1
InChIInChI=1S/C13H11BrN2O3/c14-9-3-1-2-8(6-9)13(18)16-7-10-4-5-11(19-10)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18)
InChIKeyMZPVSAPKLHUPTN-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.07
Rot. Bonds4

About 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide

5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide (PubChem CID 75423881) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide
PubChem CID75423881
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccc(Br)c2)o1
InChIInChI=1S/C13H11BrN2O3/c14-9-3-1-2-8(6-9)13(18)16-7-10-4-5-11(19-10)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18)
InChIKeyMZPVSAPKLHUPTN-UHFFFAOYSA-N
XLogP2.07
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
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5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
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2-[(3-bromobenzoyl)amino]ethyl carbamate
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3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
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3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
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3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
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3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
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3-bromo-N-(oxiran-2-ylmethyl)benzamide
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N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
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(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide (CID 75423881) is 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide is NC(=O)c1ccc(CNC(=O)c2cccc(Br)c2)o1.
What is the InChIKey of 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide?
The InChIKey is MZPVSAPKLHUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-9-3-1-2-8(6-9)13(18)16-7-10-4-5-11(19-10)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18).
What are the key properties of 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide?
5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 75423881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).