N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide

C17H17ClF3N3O — CID 109010316

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
SMILESCN(C)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O/c1-24(2)13-6-4-12(5-7-13)22-10-16(25)23-15-8-3-11(18)9-14(15)17(19,20)21/h3-9,22H,10H2,1-2H3,(H,23,25)
InChIKeyHPWDFTLFSPQKQO-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.48
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide (PubChem CID 109010316) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
PubChem CID109010316
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
SMILESCN(C)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O/c1-24(2)13-6-4-12(5-7-13)22-10-16(25)23-15-8-3-11(18)9-14(15)17(19,20)21/h3-9,22H,10H2,1-2H3,(H,23,25)
InChIKeyHPWDFTLFSPQKQO-UHFFFAOYSA-N
XLogP4.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 4847009
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008895
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide (CID 109010316) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide is CN(C)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide?
The InChIKey is HPWDFTLFSPQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-24(2)13-6-4-12(5-7-13)22-10-16(25)23-15-8-3-11(18)9-14(15)17(19,20)21/h3-9,22H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide has a molecular weight of 371.79 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide is sourced from PubChem (CID 109010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).