3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

C16H16ClFN2O — CID 60939530

IUPAC3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3
InChIKeyIPPUYPMGZYNUGW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.89
Rot. Bonds3

About 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 60939530) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
PubChem CID60939530
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3
InChIKeyIPPUYPMGZYNUGW-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.89
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

4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62978778
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (CID 60939530) is 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1F)N(C)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is IPPUYPMGZYNUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60939530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).