2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide

C11H14BrN3O2 — CID 43545551

IUPAC2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-7(11(13)17)14-6-10(16)15-9-4-2-8(12)3-5-9/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeySIOYUHCAIRJUJM-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.85
Rot. Bonds5

About 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide

2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide (PubChem CID 43545551) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
PubChem CID43545551
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-7(11(13)17)14-6-10(16)15-9-4-2-8(12)3-5-9/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeySIOYUHCAIRJUJM-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.85
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-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
CID 75382992
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
N'-(4-bromophenyl)propanediamide
CID 15154636
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
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
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide (CID 43545551) is 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide is CC(NCC(=O)Nc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is SIOYUHCAIRJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7(11(13)17)14-6-10(16)15-9-4-2-8(12)3-5-9/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide?
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 300.16 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43545551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).