N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide

C15H21Br2NO2 — CID 86806993

IUPACN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
SMILESCOCCc1cc(Br)cc(Br)c1NC(=O)CCC(C)C
InChIInChI=1S/C15H21Br2NO2/c1-10(2)4-5-14(19)18-15-11(6-7-20-3)8-12(16)9-13(15)17/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeySHTZZQZJNZMDLZ-UHFFFAOYSA-N
MW407.15 g/mol
LogP4.78
Rot. Bonds7

About N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide

N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide (PubChem CID 86806993) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
PubChem CID86806993
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
SMILESCOCCc1cc(Br)cc(Br)c1NC(=O)CCC(C)C
InChIInChI=1S/C15H21Br2NO2/c1-10(2)4-5-14(19)18-15-11(6-7-20-3)8-12(16)9-13(15)17/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeySHTZZQZJNZMDLZ-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide
CID 100739993
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
CID 43549958
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
CID 60854870
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 100695379
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113224139
methyl 2-(3-aminobutanoylamino)-3,5-dibromobenzoate
CID 54863064
3-methyl-5-oxo-5-(2,4,6-tribromoanilino)pentanoic acid
CID 62965220
(2,4-dibromo-6-ethylphenyl)thiourea
CID 169356329

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide (CID 86806993) is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide is COCCc1cc(Br)cc(Br)c1NC(=O)CCC(C)C.
What is the InChIKey of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide?
The InChIKey is SHTZZQZJNZMDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c1-10(2)4-5-14(19)18-15-11(6-7-20-3)8-12(16)9-13(15)17/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide?
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide has a molecular weight of 407.15 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 86806993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).