N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide

C14H18Br2N2O2 — CID 100739993

IUPACN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCc1cc(Br)cc(Br)c1NC(=O)N1CCCC1
InChIInChI=1S/C14H18Br2N2O2/c1-20-7-4-10-8-11(15)9-12(16)13(10)17-14(19)18-5-2-3-6-18/h8-9H,2-7H2,1H3,(H,17,19)
InChIKeyLSONNDGFQZQADN-UHFFFAOYSA-N
MW406.12 g/mol
LogP4.03
Rot. Bonds4

About N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide

N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 100739993) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID100739993
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCc1cc(Br)cc(Br)c1NC(=O)N1CCCC1
InChIInChI=1S/C14H18Br2N2O2/c1-20-7-4-10-8-11(15)9-12(16)13(10)17-14(19)18-5-2-3-6-18/h8-9H,2-7H2,1H3,(H,17,19)
InChIKeyLSONNDGFQZQADN-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
CID 86806993
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 100695379
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127096
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 71982759
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615294
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide (CID 100739993) is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide is COCCc1cc(Br)cc(Br)c1NC(=O)N1CCCC1.
What is the InChIKey of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LSONNDGFQZQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-20-7-4-10-8-11(15)9-12(16)13(10)17-14(19)18-5-2-3-6-18/h8-9H,2-7H2,1H3,(H,17,19).
What are the key properties of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide?
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 406.12 g/mol, XLogP of 4.03, 4 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100739993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).