N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide

C13H19BrN2O — CID 62693083

IUPACN-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyVOEADVQZJCPZNM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.02
Rot. Bonds6

About N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide

N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide (PubChem CID 62693083) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
PubChem CID62693083
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyVOEADVQZJCPZNM-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-2-(pent-1-yn-3-ylamino)acetamide
CID 106229271
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide (CID 62693083) is N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide is CCC(C)CNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide?
The InChIKey is VOEADVQZJCPZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide?
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide is sourced from PubChem (CID 62693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).