N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide

C20H24BrN3O — CID 124880509

IUPACN-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide
SMILESCc1cc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br
InChIInChI=1S/C20H24BrN3O/c1-14-12-16(8-9-17(14)21)23-19(25)13-22-18-10-11-24(2)20(18)15-6-4-3-5-7-15/h3-9,12,18,20,22H,10-11,13H2,1-2H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyRMAZQVBCSWZSOJ-AZUAARDMSA-N
MW402.34 g/mol
LogP3.73
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide (PubChem CID 124880509) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide
PubChem CID124880509
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide
SMILESCc1cc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br
InChIInChI=1S/C20H24BrN3O/c1-14-12-16(8-9-17(14)21)23-19(25)13-22-18-10-11-24(2)20(18)15-6-4-3-5-7-15/h3-9,12,18,20,22H,10-11,13H2,1-2H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyRMAZQVBCSWZSOJ-AZUAARDMSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
CID 124863962
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide (CID 124880509) is N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide is Cc1cc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide?
The InChIKey is RMAZQVBCSWZSOJ-AZUAARDMSA-N. The full InChI is InChI=1S/C20H24BrN3O/c1-14-12-16(8-9-17(14)21)23-19(25)13-22-18-10-11-24(2)20(18)15-6-4-3-5-7-15/h3-9,12,18,20,22H,10-11,13H2,1-2H3,(H,23,25)/t18-,20+/m0/s1.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide has a molecular weight of 402.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 124880509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).