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

C14H19BrN2O2 — CID 97087816

IUPAC2-[acetyl(methyl)amino]-N-[(2R)-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-/m1/s1
InChIKeyQLXJARQJYAPOMC-SNVBAGLBSA-N
MW327.22 g/mol
LogP1.97
Rot. Bonds5

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

2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide (PubChem CID 97087816) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
PubChem CID97087816
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[acetyl(methyl)amino]-N-[(2R)-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-/m1/s1
InChIKeyQLXJARQJYAPOMC-SNVBAGLBSA-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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Related Compounds

N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97087836
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
2-amino-N-[1-(2-bromophenyl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119814308
(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
CID 95340452
3-[[2-[acetyl(methyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 43171871
(3S)-3-[[(2R)-1-(2-bromophenyl)propan-2-yl]amino]butanamide
CID 97102943
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]butanoic acid
CID 122006510
(2S)-2-amino-N-[1-(2-bromophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119341140
N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119940274
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide (CID 97087816) is 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(2R)-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-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide?
The InChIKey is QLXJARQJYAPOMC-SNVBAGLBSA-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-/m1/s1.
What are the key properties of 2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide?
2-[acetyl(methyl)amino]-N-[(2R)-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-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 97087816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).