2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide

C14H19BrN2O3 — CID 78773270

IUPAC2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C14H19BrN2O3/c1-3-9(2)13(14(16)19)17-12(18)8-20-11-6-4-5-10(15)7-11/h4-7,9,13H,3,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyABOUVFPUKUHHQJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.84
Rot. Bonds7

About 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide

2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide (PubChem CID 78773270) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
PubChem CID78773270
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C14H19BrN2O3/c1-3-9(2)13(14(16)19)17-12(18)8-20-11-6-4-5-10(15)7-11/h4-7,9,13H,3,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyABOUVFPUKUHHQJ-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[2-(3-bromophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 4019762
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide
CID 78773340
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide (CID 78773270) is 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)COc1cccc(Br)c1)C(N)=O.
What is the InChIKey of 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide?
The InChIKey is ABOUVFPUKUHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-9(2)13(14(16)19)17-12(18)8-20-11-6-4-5-10(15)7-11/h4-7,9,13H,3,8H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide?
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide has a molecular weight of 343.22 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 78773270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).