4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide

C12H17BrN2O — CID 62657874

IUPAC4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(2)14-7-8-15-12(16)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyBKXILWGNLNJHKN-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.18
Rot. Bonds5

About 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide

4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62657874) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62657874
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(2)14-7-8-15-12(16)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyBKXILWGNLNJHKN-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-bromo-N-pentylbenzamide
CID 4167913
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62657874) is 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(C)NCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is BKXILWGNLNJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(2)14-7-8-15-12(16)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide?
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 285.19 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62657874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).