N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide

C12H16F2N2O — CID 62649951

IUPACN-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
SMILESCCCN(CCN)C(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-7-16(8-6-15)12(17)9-4-3-5-10(13)11(9)14/h3-5H,2,6-8,15H2,1H3
InChIKeyAJNZVJQEFHLMFK-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.78
Rot. Bonds5

About N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide

N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide (PubChem CID 62649951) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
PubChem CID62649951
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
SMILESCCCN(CCN)C(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-7-16(8-6-15)12(17)9-4-3-5-10(13)11(9)14/h3-5H,2,6-8,15H2,1H3
InChIKeyAJNZVJQEFHLMFK-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709
2-amino-N,N-dipropylbenzamide
CID 16769117
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide (CID 62649951) is N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide is CCCN(CCN)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide?
The InChIKey is AJNZVJQEFHLMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-7-16(8-6-15)12(17)9-4-3-5-10(13)11(9)14/h3-5H,2,6-8,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide?
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide is sourced from PubChem (CID 62649951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).