2-chloro-6-fluoro-N-heptan-2-ylbenzamide

C14H19ClFNO — CID 78789535

IUPAC2-chloro-6-fluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNO/c1-3-4-5-7-10(2)17-14(18)13-11(15)8-6-9-12(13)16/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyAXJZVAGQVDKONB-UHFFFAOYSA-N
MW271.76 g/mol
LogP4.18
Rot. Bonds6

About 2-chloro-6-fluoro-N-heptan-2-ylbenzamide

2-chloro-6-fluoro-N-heptan-2-ylbenzamide (PubChem CID 78789535) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-heptan-2-ylbenzamide
PubChem CID78789535
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-chloro-6-fluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNO/c1-3-4-5-7-10(2)17-14(18)13-11(15)8-6-9-12(13)16/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyAXJZVAGQVDKONB-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-heptan-2-ylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-heptan-2-ylbenzamide (CID 78789535) is 2-chloro-6-fluoro-N-heptan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-heptan-2-ylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-heptan-2-ylbenzamide?
The InChIKey is AXJZVAGQVDKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-4-5-7-10(2)17-14(18)13-11(15)8-6-9-12(13)16/h6,8-10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-6-fluoro-N-heptan-2-ylbenzamide?
2-chloro-6-fluoro-N-heptan-2-ylbenzamide has a molecular weight of 271.76 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-heptan-2-ylbenzamide is sourced from PubChem (CID 78789535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).