(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide

C13H17BrN2O2 — CID 95340452

IUPAC(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C13H17BrN2O2/c1-9(13(18)16(2)3)15-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyDLSREGMFHKJMSS-VIFPVBQESA-N
MW313.19 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide

(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 95340452) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
PubChem CID95340452
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C13H17BrN2O2/c1-9(13(18)16(2)3)15-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyDLSREGMFHKJMSS-VIFPVBQESA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819558
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 11164389
2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
CID 103106848
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
CID 97087816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide (CID 95340452) is (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide is C[C@H](NC(=O)Cc1ccccc1Br)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is DLSREGMFHKJMSS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9(13(18)16(2)3)15-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide?
(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 313.19 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95340452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).