2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide

C20H22ClF3N2O2 — CID 70967827

IUPAC2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H22ClF3N2O2/c1-3-26(4-2)11-12-28-16-8-6-15(7-9-16)25-19(27)17-10-5-14(13-18(17)21)20(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyZGSPYFFJXGDJOP-UHFFFAOYSA-N
MW414.86 g/mol
LogP5.33
Rot. Bonds8

About 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide

2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 70967827) has the molecular formula C20H22ClF3N2O2 and a molecular weight of 414.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID70967827
Molecular FormulaC20H22ClF3N2O2
Molecular Weight414.86 g/mol
Exact Mass414.13
IUPAC Name2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H22ClF3N2O2/c1-3-26(4-2)11-12-28-16-8-6-15(7-9-16)25-19(27)17-10-5-14(13-18(17)21)20(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyZGSPYFFJXGDJOP-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.86
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-2-[2-(diethylamino)ethoxy]benzoate
CID 70967829
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 59691580
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide
CID 89282724
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 119841222
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide (CID 70967827) is 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide is CCN(CC)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZGSPYFFJXGDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2O2/c1-3-26(4-2)11-12-28-16-8-6-15(7-9-16)25-19(27)17-10-5-14(13-18(17)21)20(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide?
2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 414.86 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70967827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).