N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide

C14H18BrF2NO — CID 107847518

IUPACN-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCCCCCCBr
InChIInChI=1S/C14H18BrF2NO/c15-7-3-1-2-4-8-18-14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,1-4,7-8,10H2,(H,18,19)
InChIKeyKDJWRCJCYAUCMN-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.58
Rot. Bonds8

About N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide

N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 107847518) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
PubChem CID107847518
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC NameN-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCCCCCCBr
InChIInChI=1S/C14H18BrF2NO/c15-7-3-1-2-4-8-18-14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,1-4,7-8,10H2,(H,18,19)
InChIKeyKDJWRCJCYAUCMN-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.58
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

N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
CID 106122221
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
7-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]heptanoic acid
CID 120524041
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
CID 114301835
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
2-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 120526546
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide (CID 107847518) is N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is KDJWRCJCYAUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-7-3-1-2-4-8-18-14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,1-4,7-8,10H2,(H,18,19).
What are the key properties of N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide?
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 334.20 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 107847518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).