3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide

C14H22FN3O — CID 60860849

IUPAC3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-18(5-2)7-6-17-14(19)11-8-12(15)10(3)13(16)9-11/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyAWADSXXHXATRQM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.79
Rot. Bonds6

About 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide

3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide (PubChem CID 60860849) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
PubChem CID60860849
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-18(5-2)7-6-17-14(19)11-8-12(15)10(3)13(16)9-11/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyAWADSXXHXATRQM-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide (CID 60860849) is 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide is CCN(CC)CCNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide?
The InChIKey is AWADSXXHXATRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-18(5-2)7-6-17-14(19)11-8-12(15)10(3)13(16)9-11/h8-9H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide?
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide has a molecular weight of 267.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60860849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).