2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide

C16H25BrN2O — CID 103854605

IUPAC2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(CC(C)C)N(C)C)c1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)9-13(19(4)5)10-18-16(20)14-8-6-7-12(3)15(14)17/h6-8,11,13H,9-10H2,1-5H3,(H,18,20)
InChIKeyKNOCUJVXZCAJTN-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.46
Rot. Bonds6

About 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide

2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide (PubChem CID 103854605) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
PubChem CID103854605
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(CC(C)C)N(C)C)c1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)9-13(19(4)5)10-18-16(20)14-8-6-7-12(3)15(14)17/h6-8,11,13H,9-10H2,1-5H3,(H,18,20)
InChIKeyKNOCUJVXZCAJTN-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

2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712
N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
CID 54938089
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2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
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N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-3-methylbenzamide
CID 114023824
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-bromo-N-[(2S)-3-hydroxy-2-phenylpropyl]-3-methylbenzamide
CID 124572255
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide (CID 103854605) is 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(CC(C)C)N(C)C)c1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide?
The InChIKey is KNOCUJVXZCAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)9-13(19(4)5)10-18-16(20)14-8-6-7-12(3)15(14)17/h6-8,11,13H,9-10H2,1-5H3,(H,18,20).
What are the key properties of 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide?
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-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 2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide is sourced from PubChem (CID 103854605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).