N-[(2-bromophenyl)methyl]-N-methylheptanamide

C15H22BrNO — CID 113221232

IUPACN-[(2-bromophenyl)methyl]-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-11-15(18)17(2)12-13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyFWIMDHWMQSUQCB-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.38
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-N-methylheptanamide

N-[(2-bromophenyl)methyl]-N-methylheptanamide (PubChem CID 113221232) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylheptanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylheptanamide
PubChem CID113221232
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-11-15(18)17(2)12-13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyFWIMDHWMQSUQCB-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide
CID 143322076
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylheptanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylheptanamide (CID 113221232) is N-[(2-bromophenyl)methyl]-N-methylheptanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylheptanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylheptanamide is CCCCCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylheptanamide?
The InChIKey is FWIMDHWMQSUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-4-5-6-11-15(18)17(2)12-13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylheptanamide?
N-[(2-bromophenyl)methyl]-N-methylheptanamide has a molecular weight of 312.25 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylheptanamide is sourced from PubChem (CID 113221232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).