2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide

C15H15ClFN3O — CID 107466274

IUPAC2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClFN3O/c1-20(14-8-10(16)2-7-13(14)18)9-15(21)19-12-5-3-11(17)4-6-12/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyDAUDQNOWRVRSBC-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide

2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 107466274) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID107466274
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClFN3O/c1-20(14-8-10(16)2-7-13(14)18)9-15(21)19-12-5-3-11(17)4-6-12/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyDAUDQNOWRVRSBC-UHFFFAOYSA-N
XLogP3.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.14
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

2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183842
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472400
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 61360203
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide (CID 107466274) is 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is DAUDQNOWRVRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(14-8-10(16)2-7-13(14)18)9-15(21)19-12-5-3-11(17)4-6-12/h2-8H,9,18H2,1H3,(H,19,21).
What are the key properties of 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide?
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 307.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 107466274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).