N,N-dibenzyl-5-bromofuran-2-carboxamide

C19H16BrNO2 — CID 1042531

IUPACN,N-dibenzyl-5-bromofuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-18-12-11-17(23-18)19(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyLBKVWLLUUVVCQF-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.88
Rot. Bonds5

About N,N-dibenzyl-5-bromofuran-2-carboxamide

N,N-dibenzyl-5-bromofuran-2-carboxamide (PubChem CID 1042531) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is N,N-dibenzyl-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-5-bromofuran-2-carboxamide
PubChem CID1042531
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC NameN,N-dibenzyl-5-bromofuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-18-12-11-17(23-18)19(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyLBKVWLLUUVVCQF-UHFFFAOYSA-N
XLogP4.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
ethyl 5-[[benzyl-(5-bromofuran-2-carbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 20931546
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
[1-(dibenzylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 16522527
N,N-dibenzylfuran-2-carboxamide
CID 762503
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-bromofuran-2-carboxamide?
The IUPAC name of N,N-dibenzyl-5-bromofuran-2-carboxamide (CID 1042531) is N,N-dibenzyl-5-bromofuran-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-5-bromofuran-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-5-bromofuran-2-carboxamide is O=C(c1ccc(Br)o1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-5-bromofuran-2-carboxamide?
The InChIKey is LBKVWLLUUVVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c20-18-12-11-17(23-18)19(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of N,N-dibenzyl-5-bromofuran-2-carboxamide?
N,N-dibenzyl-5-bromofuran-2-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-bromofuran-2-carboxamide is sourced from PubChem (CID 1042531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).