N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide

C12H17BrN2O — CID 43179384

IUPACN-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyXLUANCFZTFNPFZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.78
Rot. Bonds5

About N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide (PubChem CID 43179384) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
PubChem CID43179384
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyXLUANCFZTFNPFZ-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
CID 75382992
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide (CID 43179384) is N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide?
The InChIKey is XLUANCFZTFNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide?
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide is sourced from PubChem (CID 43179384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).