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

C12H17BrN2O2 — CID 83176951

IUPACN-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
SMILESCC(CCO)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-9(6-7-16)14-8-12(17)15-11-4-2-10(13)3-5-11/h2-5,9,14,16H,6-8H2,1H3,(H,15,17)
InChIKeySTQFKHHLLGWERG-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.75
Rot. Bonds6

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

N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide (PubChem CID 83176951) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
PubChem CID83176951
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
SMILESCC(CCO)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-9(6-7-16)14-8-12(17)15-11-4-2-10(13)3-5-11/h2-5,9,14,16H,6-8H2,1H3,(H,15,17)
InChIKeySTQFKHHLLGWERG-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
CID 103949825
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
CID 75382992
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide (CID 83176951) is N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide is CC(CCO)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide?
The InChIKey is STQFKHHLLGWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(6-7-16)14-8-12(17)15-11-4-2-10(13)3-5-11/h2-5,9,14,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide?
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide has a molecular weight of 301.18 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide is sourced from PubChem (CID 83176951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).