N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide

C15H21BrN2O2 — CID 113052522

IUPACN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C15H21BrN2O2/c1-11(2)10-18(12(3)19)9-8-17-15(20)13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUUFYLMJABMGPRB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.68
Rot. Bonds6

About N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide (PubChem CID 113052522) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide
PubChem CID113052522
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C15H21BrN2O2/c1-11(2)10-18(12(3)19)9-8-17-15(20)13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUUFYLMJABMGPRB-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 113052548
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-bromobenzamide
CID 113053401
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide?
The IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide (CID 113052522) is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide?
The canonical SMILES for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide is CC(=O)N(CCNC(=O)c1ccc(Br)cc1)CC(C)C.
What is the InChIKey of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide?
The InChIKey is UUFYLMJABMGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(2)10-18(12(3)19)9-8-17-15(20)13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide?
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide has a molecular weight of 341.25 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-bromobenzamide is sourced from PubChem (CID 113052522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).