N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

C18H16ClF3N2O2 — CID 38622489

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O2/c1-24(11-16(25)23-15-4-2-3-14(19)10-15)17(26)9-12-5-7-13(8-6-12)18(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,25)
InChIKeyVIKNMTAYNWOGHV-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 38622489) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID38622489
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O2/c1-24(11-16(25)23-15-4-2-3-14(19)10-15)17(26)9-12-5-7-13(8-6-12)18(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,25)
InChIKeyVIKNMTAYNWOGHV-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
N-(3-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55462625
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 38622489) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VIKNMTAYNWOGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-24(11-16(25)23-15-4-2-3-14(19)10-15)17(26)9-12-5-7-13(8-6-12)18(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 38622489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).