N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide

C13H19BrN2O — CID 61165853

IUPACN-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
SMILESCC(C)(C)CNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyHVWHUQCRPBGHAI-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.02
Rot. Bonds4

About N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide

N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide (PubChem CID 61165853) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
PubChem CID61165853
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
SMILESCC(C)(C)CNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyHVWHUQCRPBGHAI-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
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N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
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CID 60648819
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
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CID 9079697

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide (CID 61165853) is N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide is CC(C)(C)CNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The InChIKey is HVWHUQCRPBGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2,3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide?
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide is sourced from PubChem (CID 61165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).