N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide

C18H16ClF3N2O2 — CID 113061451

IUPACN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-7-3-5-14(11-16)18(20,21)22)9-8-23-17(26)13-4-2-6-15(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,23,26)
InChIKeyUKMHBYRLTFWULR-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.14
Rot. Bonds5

About N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide

N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide (PubChem CID 113061451) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
PubChem CID113061451
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-7-3-5-14(11-16)18(20,21)22)9-8-23-17(26)13-4-2-6-15(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,23,26)
InChIKeyUKMHBYRLTFWULR-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 42700455
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide (CID 113061451) is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide is CC(=O)N(CCNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide?
The InChIKey is UKMHBYRLTFWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-7-3-5-14(11-16)18(20,21)22)9-8-23-17(26)13-4-2-6-15(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,23,26).
What are the key properties of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide?
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide has a molecular weight of 384.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide is sourced from PubChem (CID 113061451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).