2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide

C19H22BrN3O — CID 120670298

IUPAC2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3ccccc3Br)C2)cc1
InChIInChI=1S/C19H22BrN3O/c1-13-6-8-14(9-7-13)18(21)19(24)22-15-10-11-23(12-15)17-5-3-2-4-16(17)20/h2-9,15,18H,10-12,21H2,1H3,(H,22,24)
InChIKeyXTAKIUWEBOUPNI-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.15
Rot. Bonds4

About 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide

2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 120670298) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID120670298
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3ccccc3Br)C2)cc1
InChIInChI=1S/C19H22BrN3O/c1-13-6-8-14(9-7-13)18(21)19(24)22-15-10-11-23(12-15)17-5-3-2-4-16(17)20/h2-9,15,18H,10-12,21H2,1H3,(H,22,24)
InChIKeyXTAKIUWEBOUPNI-UHFFFAOYSA-N
XLogP3.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide (CID 120670298) is 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CCN(c3ccccc3Br)C2)cc1.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is XTAKIUWEBOUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-13-6-8-14(9-7-13)18(21)19(24)22-15-10-11-23(12-15)17-5-3-2-4-16(17)20/h2-9,15,18H,10-12,21H2,1H3,(H,22,24).
What are the key properties of 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 388.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120670298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).