N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide

C17H18ClFN2O — CID 52689468

IUPACN-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-6-12(2)8-14(7-11)21(3)10-17(22)20-16-9-13(18)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyNTLHUYQSCCNUKE-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.17
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide

N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide (PubChem CID 52689468) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
PubChem CID52689468
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-6-12(2)8-14(7-11)21(3)10-17(22)20-16-9-13(18)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyNTLHUYQSCCNUKE-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 8768024
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(5-chloro-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9434187
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide (CID 52689468) is N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide is Cc1cc(C)cc(N(C)CC(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide?
The InChIKey is NTLHUYQSCCNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11-6-12(2)8-14(7-11)21(3)10-17(22)20-16-9-13(18)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide has a molecular weight of 320.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide is sourced from PubChem (CID 52689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).