N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide

C14H21FN2O2 — CID 104916525

IUPACN-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC)CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H21FN2O2/c1-3-17(4-2)10-6-9-16-14(19)13-11(15)7-5-8-12(13)18/h5,7-8,18H,3-4,6,9-10H2,1-2H3,(H,16,19)
InChIKeyLRAHOIRGKHEGEQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.99
Rot. Bonds7

About N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide

N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104916525) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104916525
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC)CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H21FN2O2/c1-3-17(4-2)10-6-9-16-14(19)13-11(15)7-5-8-12(13)18/h5,7-8,18H,3-4,6,9-10H2,1-2H3,(H,16,19)
InChIKeyLRAHOIRGKHEGEQ-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide (CID 104916525) is N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide is CCN(CC)CCCNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is LRAHOIRGKHEGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-17(4-2)10-6-9-16-14(19)13-11(15)7-5-8-12(13)18/h5,7-8,18H,3-4,6,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide?
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104916525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).