N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide

C11H15BrN2O2 — CID 75483837

IUPACN-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCNc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)11(16)14-6-5-13-10-4-2-3-9(12)7-10/h2-4,7-8,13,15H,5-6H2,1H3,(H,14,16)
InChIKeyWSGNBRCKGJQZRW-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide

N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide (PubChem CID 75483837) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide
PubChem CID75483837
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCNc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)11(16)14-6-5-13-10-4-2-3-9(12)7-10/h2-4,7-8,13,15H,5-6H2,1H3,(H,14,16)
InChIKeyWSGNBRCKGJQZRW-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromoanilino)ethyl]-2-methoxypropanamide
CID 75499410
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
3-bromo-N-propan-2-ylaniline
CID 23291934
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide (CID 75483837) is N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide is CC(O)C(=O)NCCNc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide?
The InChIKey is WSGNBRCKGJQZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(15)11(16)14-6-5-13-10-4-2-3-9(12)7-10/h2-4,7-8,13,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide?
N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 75483837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).