N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide

C22H17NO3 — CID 28668494

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17NO3/c24-14-18-12-13-21(26-18)16-8-10-17(11-9-16)23-22(25)20-7-3-5-15-4-1-2-6-19(15)20/h1-13,24H,14H2,(H,23,25)
InChIKeyJODDHWDENIQAOL-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.84
Rot. Bonds4

About N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide

N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 28668494) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
PubChem CID28668494
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17NO3/c24-14-18-12-13-21(26-18)16-8-10-17(11-9-16)23-22(25)20-7-3-5-15-4-1-2-6-19(15)20/h1-13,24H,14H2,(H,23,25)
InChIKeyJODDHWDENIQAOL-UHFFFAOYSA-N
XLogP4.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
CID 28668650
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2,2-diphenylacetamide
CID 28666297
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]pyridine-3-carboxamide
CID 28675230
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 28687458
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 28677528
2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28666456
(5-naphthalen-1-ylfuran-2-yl)methanol
CID 60894914
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide (CID 28668494) is N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is JODDHWDENIQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-14-18-12-13-21(26-18)16-8-10-17(11-9-16)23-22(25)20-7-3-5-15-4-1-2-6-19(15)20/h1-13,24H,14H2,(H,23,25).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 28668494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).