2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide

C19H22BrN3O — CID 119860603

IUPAC2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCC1CCN(c2ccc(Br)cc2)C1)c1ccccc1
InChIInChI=1S/C19H22BrN3O/c20-16-6-8-17(9-7-16)23-11-10-14(13-23)12-22-19(24)18(21)15-4-2-1-3-5-15/h1-9,14,18H,10-13,21H2,(H,22,24)
InChIKeySAXCIWUDAKSFEZ-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.09
Rot. Bonds5

About 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide

2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide (PubChem CID 119860603) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
PubChem CID119860603
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCC1CCN(c2ccc(Br)cc2)C1)c1ccccc1
InChIInChI=1S/C19H22BrN3O/c20-16-6-8-17(9-7-16)23-11-10-14(13-23)12-22-19(24)18(21)15-4-2-1-3-5-15/h1-9,14,18H,10-13,21H2,(H,22,24)
InChIKeySAXCIWUDAKSFEZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 119860635
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120669772
2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119898718
(2S)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119860636
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
(2S)-2-amino-2-phenyl-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]acetamide
CID 69280674
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860624
2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670556
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide (CID 119860603) is 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide is NC(C(=O)NCC1CCN(c2ccc(Br)cc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide?
The InChIKey is SAXCIWUDAKSFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-16-6-8-17(9-7-16)23-11-10-14(13-23)12-22-19(24)18(21)15-4-2-1-3-5-15/h1-9,14,18H,10-13,21H2,(H,22,24).
What are the key properties of 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide?
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide has a molecular weight of 388.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 119860603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).