5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide

C17H12BrClN2O3 — CID 1269634

IUPAC5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H12BrClN2O3/c18-13-3-1-2-4-14(13)23-10-12-6-7-15(24-12)17(22)21-16-8-5-11(19)9-20-16/h1-9H,10H2,(H,20,21,22)
InChIKeyKKMZDXWZZIWZQA-UHFFFAOYSA-N
MW407.65 g/mol
LogP4.92
Rot. Bonds5

About 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide (PubChem CID 1269634) has the molecular formula C17H12BrClN2O3 and a molecular weight of 407.65 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
PubChem CID1269634
Molecular FormulaC17H12BrClN2O3
Molecular Weight407.65 g/mol
Exact Mass405.97
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H12BrClN2O3/c18-13-3-1-2-4-14(13)23-10-12-6-7-15(24-12)17(22)21-16-8-5-11(19)9-20-16/h1-9H,10H2,(H,20,21,22)
InChIKeyKKMZDXWZZIWZQA-UHFFFAOYSA-N
XLogP4.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
Piperazine amide, 4l
CID 44236951
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
N-(3-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24239957
N-(5-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24243657
N-(5-chloro-2-pyridinyl)-5-[(2,2,3,3-tetrafluoropropoxy)methyl]-2-furamide
CID 1091771
5-[(2-chlorophenoxy)methyl]-N-(2-pyridinyl)-2-furamide
CID 1225502
N-(5-chloro(2-pyridyl)){5-[(2-methoxyphenoxy)methyl](2-furyl)}carboxamide
CID 1084336
5-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 1269632
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2375592
N-(5-chloropyridin-2-yl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 1223030
5-[(2-bromophenoxy)methyl]-N-3-pyridinyl-2-furamide
CID 1223128

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide (CID 1269634) is 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The InChIKey is KKMZDXWZZIWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O3/c18-13-3-1-2-4-14(13)23-10-12-6-7-15(24-12)17(22)21-16-8-5-11(19)9-20-16/h1-9H,10H2,(H,20,21,22).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide has a molecular weight of 407.65 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 1269634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).