2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide

C13H19BrN2O — CID 124624154

IUPAC2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)[C@](C)(NCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(2)13(3,16-8-12(15)17)10-4-6-11(14)7-5-10/h4-7,9,16H,8H2,1-3H3,(H2,15,17)/t13-/m0/s1
InChIKeyCNYSIZDXAPBDON-ZDUSSCGKSA-N
MW299.21 g/mol
LogP2.40
Rot. Bonds5

About 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide

2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide (PubChem CID 124624154) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
PubChem CID124624154
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)[C@](C)(NCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(2)13(3,16-8-12(15)17)10-4-6-11(14)7-5-10/h4-7,9,16H,8H2,1-3H3,(H2,15,17)/t13-/m0/s1
InChIKeyCNYSIZDXAPBDON-ZDUSSCGKSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 124624155
2-(4-bromophenyl)-2-(propylamino)propanamide
CID 60795515
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
methyl 4-amino-2-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-4-oxobutanoate
CID 126577006
methyl 2-[3-[[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]-3-oxopropyl]sulfanylacetate
CID 99795370
tert-butyl 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoate
CID 81358939
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
ethyl 3-(4-bromophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62396402
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 99795374

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide?
The IUPAC name of 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide (CID 124624154) is 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide?
The canonical SMILES for 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide is CC(C)[C@](C)(NCC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide?
The InChIKey is CNYSIZDXAPBDON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)13(3,16-8-12(15)17)10-4-6-11(14)7-5-10/h4-7,9,16H,8H2,1-3H3,(H2,15,17)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide?
2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 124624154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).