N-(5-bromopentyl)-N,4-dimethylbenzamide

C14H20BrNO — CID 107206029

IUPACN-(5-bromopentyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCCCCBr)cc1
InChIInChI=1S/C14H20BrNO/c1-12-6-8-13(9-7-12)14(17)16(2)11-5-3-4-10-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyBLPWJOPENPVDGI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.63
Rot. Bonds6

About N-(5-bromopentyl)-N,4-dimethylbenzamide

N-(5-bromopentyl)-N,4-dimethylbenzamide (PubChem CID 107206029) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(5-bromopentyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N,4-dimethylbenzamide
PubChem CID107206029
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(5-bromopentyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCCCCBr)cc1
InChIInChI=1S/C14H20BrNO/c1-12-6-8-13(9-7-12)14(17)16(2)11-5-3-4-10-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyBLPWJOPENPVDGI-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
3-[methyl-(4-methylbenzoyl)amino]propyl hydrogen sulfite
CID 156742248
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
1-N,4-N-bis[2-[ethyl(nonyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139952652
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N,4-dimethylbenzamide?
The IUPAC name of N-(5-bromopentyl)-N,4-dimethylbenzamide (CID 107206029) is N-(5-bromopentyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CCCCCBr)cc1.
What is the InChIKey of N-(5-bromopentyl)-N,4-dimethylbenzamide?
The InChIKey is BLPWJOPENPVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-12-6-8-13(9-7-12)14(17)16(2)11-5-3-4-10-15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-N,4-dimethylbenzamide?
N-(5-bromopentyl)-N,4-dimethylbenzamide has a molecular weight of 298.22 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 107206029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).