N-(6-bromohexyl)-3-fluoro-4-methylbenzamide

C14H19BrFNO — CID 107847799

IUPACN-(6-bromohexyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)cc1F
InChIInChI=1S/C14H19BrFNO/c1-11-6-7-12(10-13(11)16)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyUBJPKVAEGCYRQS-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.82
Rot. Bonds7

About N-(6-bromohexyl)-3-fluoro-4-methylbenzamide

N-(6-bromohexyl)-3-fluoro-4-methylbenzamide (PubChem CID 107847799) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-fluoro-4-methylbenzamide
PubChem CID107847799
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-(6-bromohexyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)cc1F
InChIInChI=1S/C14H19BrFNO/c1-11-6-7-12(10-13(11)16)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyUBJPKVAEGCYRQS-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
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

6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(6-bromohexyl)-3-fluoro-4-methylbenzamide (CID 107847799) is N-(6-bromohexyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(6-bromohexyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(6-bromohexyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCCBr)cc1F.
What is the InChIKey of N-(6-bromohexyl)-3-fluoro-4-methylbenzamide?
The InChIKey is UBJPKVAEGCYRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-11-6-7-12(10-13(11)16)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(6-bromohexyl)-3-fluoro-4-methylbenzamide?
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide has a molecular weight of 316.21 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 107847799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).