2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide

C14H19BrN2O2 — CID 97087815

IUPAC2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide
SMILESCC(=O)N(C)CC(=O)N[C@@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(8-12-6-4-5-7-13(12)15)16-14(19)9-17(3)11(2)18/h4-7,10H,8-9H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyQLXJARQJYAPOMC-JTQLQIEISA-N
MW327.22 g/mol
LogP1.97
Rot. Bonds5

About 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide

2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide (PubChem CID 97087815) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide
PubChem CID97087815
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide
SMILESCC(=O)N(C)CC(=O)N[C@@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(8-12-6-4-5-7-13(12)15)16-14(19)9-17(3)11(2)18/h4-7,10H,8-9H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyQLXJARQJYAPOMC-JTQLQIEISA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide (CID 97087815) is 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide is CC(=O)N(C)CC(=O)N[C@@H](C)Cc1ccccc1Br.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide?
The InChIKey is QLXJARQJYAPOMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(8-12-6-4-5-7-13(12)15)16-14(19)9-17(3)11(2)18/h4-7,10H,8-9H2,1-3H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide?
2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[(2S)-1-(2-bromophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 97087815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).