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

C14H21BrN2O — CID 43372196

IUPACN-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
SMILESCC(C)CC(C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-11(3)16-9-14(18)17-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyINXLUSDOISOHSV-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.41
Rot. Bonds6

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

N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide (PubChem CID 43372196) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
PubChem CID43372196
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
SMILESCC(C)CC(C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-11(3)16-9-14(18)17-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyINXLUSDOISOHSV-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
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
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
CID 103949825
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide (CID 43372196) is N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide is CC(C)CC(C)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide?
The InChIKey is INXLUSDOISOHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)8-11(3)16-9-14(18)17-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide?
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide is sourced from PubChem (CID 43372196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).