N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide

C20H24Br2N2O2 — CID 118881902

IUPACN-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Br)c2c(NC(=O)CCCC)ccc(Br)c12
InChIInChI=1S/C20H24Br2N2O2/c1-3-5-7-17(25)23-15-11-9-14(22)20-16(12-10-13(21)19(15)20)24-18(26)8-6-4-2/h9-12H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYSAVTIVUPWLJPC-UHFFFAOYSA-N
MW484.23 g/mol
LogP6.62
Rot. Bonds8

About N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide

N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide (PubChem CID 118881902) has the molecular formula C20H24Br2N2O2 and a molecular weight of 484.23 g/mol. Its IUPAC name is N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide.

Molecular Properties

Compound NameN-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
PubChem CID118881902
Molecular FormulaC20H24Br2N2O2
Molecular Weight484.23 g/mol
Exact Mass482.02
IUPAC NameN-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Br)c2c(NC(=O)CCCC)ccc(Br)c12
InChIInChI=1S/C20H24Br2N2O2/c1-3-5-7-17(25)23-15-11-9-14(22)20-16(12-10-13(21)19(15)20)24-18(26)8-6-4-2/h9-12H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYSAVTIVUPWLJPC-UHFFFAOYSA-N
XLogP6.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.23
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide 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-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
2-bromo-5-(pentanoylamino)benzoic acid
CID 115295715
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
5-(dimethylamino)-2-(pentanoylamino)benzoic acid
CID 50782826
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide?
The IUPAC name of N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide (CID 118881902) is N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide.
What is the SMILES notation for N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide?
The canonical SMILES for N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide is CCCCC(=O)Nc1ccc(Br)c2c(NC(=O)CCCC)ccc(Br)c12.
What is the InChIKey of N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide?
The InChIKey is YSAVTIVUPWLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2N2O2/c1-3-5-7-17(25)23-15-11-9-14(22)20-16(12-10-13(21)19(15)20)24-18(26)8-6-4-2/h9-12H,3-8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide?
N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide has a molecular weight of 484.23 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide is sourced from PubChem (CID 118881902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).