5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide

C22H16BrNO3 — CID 28668650

IUPAC5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2c(Br)cccc12
InChIInChI=1S/C22H16BrNO3/c23-20-9-3-6-17-18(20)7-2-8-19(17)22(26)24-15-5-1-4-14(12-15)21-11-10-16(13-25)27-21/h1-12,25H,13H2,(H,24,26)
InChIKeyNRRJJYVMUCSBDU-UHFFFAOYSA-N
MW422.28 g/mol
LogP5.61
Rot. Bonds4

About 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide

5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 28668650) has the molecular formula C22H16BrNO3 and a molecular weight of 422.28 g/mol. Its IUPAC name is 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
PubChem CID28668650
Molecular FormulaC22H16BrNO3
Molecular Weight422.28 g/mol
Exact Mass421.03
IUPAC Name5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2c(Br)cccc12
InChIInChI=1S/C22H16BrNO3/c23-20-9-3-6-17-18(20)7-2-8-19(17)22(26)24-15-5-1-4-14(12-15)21-11-10-16(13-25)27-21/h1-12,25H,13H2,(H,24,26)
InChIKeyNRRJJYVMUCSBDU-UHFFFAOYSA-N
XLogP5.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 3941251
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
CID 28668494
4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28666821
3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675140
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
(E)-3-(4-chlorophenyl)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677676
5-bromonaphthalene-1-carbohydrazide
CID 22115886
N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 4004013
dimethyl 5-[(5-bromonaphthalene-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1354324
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28675967

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide (CID 28668650) is 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide is O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is NRRJJYVMUCSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO3/c23-20-9-3-6-17-18(20)7-2-8-19(17)22(26)24-15-5-1-4-14(12-15)21-11-10-16(13-25)27-21/h1-12,25H,13H2,(H,24,26).
What are the key properties of 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 28668650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).