5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide

C17H19BrN2O4 — CID 2933388

IUPAC5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C17H19BrN2O4/c1-3-4-5-16(21)20-12-7-6-11(10-14(12)23-2)19-17(22)13-8-9-15(18)24-13/h6-10H,3-5H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMASMPZHCRQUGDZ-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.43
Rot. Bonds7

About 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide

5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide (PubChem CID 2933388) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
PubChem CID2933388
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C17H19BrN2O4/c1-3-4-5-16(21)20-12-7-6-11(10-14(12)23-2)19-17(22)13-8-9-15(18)24-13/h6-10H,3-5H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMASMPZHCRQUGDZ-UHFFFAOYSA-N
XLogP4.43
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide (CID 2933388) is 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide is CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Br)o2)cc1OC.
What is the InChIKey of 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is MASMPZHCRQUGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-3-4-5-16(21)20-12-7-6-11(10-14(12)23-2)19-17(22)13-8-9-15(18)24-13/h6-10H,3-5H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide?
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2933388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).