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

C20H23BrN2O4 — CID 21215255

IUPAC5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)15-11-13(21)7-10-17(15)26-2/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBUSABMBVSHEACQ-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.85
Rot. Bonds8

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

5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (PubChem CID 21215255) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
PubChem CID21215255
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)15-11-13(21)7-10-17(15)26-2/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBUSABMBVSHEACQ-UHFFFAOYSA-N
XLogP4.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
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
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide
CID 131896646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (CID 21215255) is 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is CCCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The InChIKey is BUSABMBVSHEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)15-11-13(21)7-10-17(15)26-2/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide has a molecular weight of 435.32 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 21215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).