2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide

C16H16F2N2O — CID 60952393

IUPAC2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccccc1N
InChIInChI=1S/C16H16F2N2O/c1-10(11-7-8-13(17)14(18)9-11)20(2)16(21)12-5-3-4-6-15(12)19/h3-10H,19H2,1-2H3
InChIKeyDUEXHMLIHNLGST-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.38
Rot. Bonds3

About 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 60952393) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
PubChem CID60952393
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccccc1N
InChIInChI=1S/C16H16F2N2O/c1-10(11-7-8-13(17)14(18)9-11)20(2)16(21)12-5-3-4-6-15(12)19/h3-10H,19H2,1-2H3
InChIKeyDUEXHMLIHNLGST-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353870
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
CID 62979803
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
3-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylindole-2-carboxamide
CID 55665914
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide (CID 60952393) is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is DUEXHMLIHNLGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10(11-7-8-13(17)14(18)9-11)20(2)16(21)12-5-3-4-6-15(12)19/h3-10H,19H2,1-2H3.
What are the key properties of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide?
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60952393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).