N-[2-(3-bromoanilino)-2-oxoethyl]propanamide

C11H13BrN2O2 — CID 113000509

IUPACN-[2-(3-bromoanilino)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c1-2-10(15)13-7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyNTYNEEJUEGCZMI-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.91
Rot. Bonds4

About N-[2-(3-bromoanilino)-2-oxoethyl]propanamide

N-[2-(3-bromoanilino)-2-oxoethyl]propanamide (PubChem CID 113000509) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-[2-(3-bromoanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-bromoanilino)-2-oxoethyl]propanamide
PubChem CID113000509
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-[2-(3-bromoanilino)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c1-2-10(15)13-7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyNTYNEEJUEGCZMI-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
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2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]propanamide?
The IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]propanamide (CID 113000509) is N-[2-(3-bromoanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-(3-bromoanilino)-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-(3-bromoanilino)-2-oxoethyl]propanamide is CCC(=O)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromoanilino)-2-oxoethyl]propanamide?
The InChIKey is NTYNEEJUEGCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-10(15)13-7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-bromoanilino)-2-oxoethyl]propanamide?
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide has a molecular weight of 285.14 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 113000509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).