N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide

C11H13ClF2N2O — CID 82783569

IUPACN-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
SMILESNCCCCNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H13ClF2N2O/c12-8-6-9(13)7(5-10(8)14)11(17)16-4-2-1-3-15/h5-6H,1-4,15H2,(H,16,17)
InChIKeyAIXAYJSFKZHXQD-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.09
Rot. Bonds5

About N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide

N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 82783569) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
PubChem CID82783569
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC NameN-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
SMILESNCCCCNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H13ClF2N2O/c12-8-6-9(13)7(5-10(8)14)11(17)16-4-2-1-3-15/h5-6H,1-4,15H2,(H,16,17)
InChIKeyAIXAYJSFKZHXQD-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]propanoate
CID 82773162
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide (CID 82783569) is N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide is NCCCCNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is AIXAYJSFKZHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O/c12-8-6-9(13)7(5-10(8)14)11(17)16-4-2-1-3-15/h5-6H,1-4,15H2,(H,16,17).
What are the key properties of N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide?
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 262.69 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82783569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).