N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide

C12H16BrNO — CID 55029103

IUPACN-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-8(2)12(15)14-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H,14,15)
InChIKeyRYVRHOCNFAZNOY-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide

N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide (PubChem CID 55029103) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
PubChem CID55029103
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-8(2)12(15)14-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H,14,15)
InChIKeyRYVRHOCNFAZNOY-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide
CID 177202302
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795
2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
CID 81376331
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide (CID 55029103) is N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide?
The InChIKey is RYVRHOCNFAZNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)12(15)14-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide?
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide has a molecular weight of 270.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 55029103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).