N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide

C12H14Br2N2O2 — CID 61214476

IUPACN-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(Br)cc2Br)C1
InChIInChI=1S/C12H14Br2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-3-2-7(13)4-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeySVGOGDMBAJONOS-UHFFFAOYSA-N
MW378.06 g/mol
LogP2.53
Rot. Bonds3

About N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide

N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214476) has the molecular formula C12H14Br2N2O2 and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214476
Molecular FormulaC12H14Br2N2O2
Molecular Weight378.06 g/mol
Exact Mass375.94
IUPAC NameN-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(Br)cc2Br)C1
InChIInChI=1S/C12H14Br2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-3-2-7(13)4-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeySVGOGDMBAJONOS-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 107790383
N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 114050908
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214476) is N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc(Br)cc2Br)C1.
What is the InChIKey of N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SVGOGDMBAJONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-3-2-7(13)4-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 378.06 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).