3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide

C16H25BrN2O — CID 81472392

IUPAC3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-14(10-19(4)5)18-16(20)13-7-6-12(3)15(17)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,18,20)
InChIKeyRZVDAVIZEOTKFW-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.46
Rot. Bonds6

About 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide

3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide (PubChem CID 81472392) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
PubChem CID81472392
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-14(10-19(4)5)18-16(20)13-7-6-12(3)15(17)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,18,20)
InChIKeyRZVDAVIZEOTKFW-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
CID 171390408
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide (CID 81472392) is 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(CC(C)C)CN(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide?
The InChIKey is RZVDAVIZEOTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)8-14(10-19(4)5)18-16(20)13-7-6-12(3)15(17)9-13/h6-7,9,11,14H,8,10H2,1-5H3,(H,18,20).
What are the key properties of 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide?
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide has a molecular weight of 341.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 81472392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).