N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide

C21H25ClF3N3O3 — CID 59691580

IUPACN-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2Cl)cc1N
InChIInChI=1S/C21H25ClF3N3O3/c1-3-28(4-2)9-10-30-19-8-6-15(12-17(19)26)27-20(29)13-31-18-7-5-14(11-16(18)22)21(23,24)25/h5-8,11-12H,3-4,9-10,13,26H2,1-2H3,(H,27,29)
InChIKeyLSFVKYYBGLLMJN-UHFFFAOYSA-N
MW459.90 g/mol
LogP4.68
Rot. Bonds10

About N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide

N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 59691580) has the molecular formula C21H25ClF3N3O3 and a molecular weight of 459.90 g/mol. Its IUPAC name is N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
PubChem CID59691580
Molecular FormulaC21H25ClF3N3O3
Molecular Weight459.90 g/mol
Exact Mass459.15
IUPAC NameN-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2Cl)cc1N
InChIInChI=1S/C21H25ClF3N3O3/c1-3-28(4-2)9-10-30-19-8-6-15(12-17(19)26)27-20(29)13-31-18-7-5-14(11-16(18)22)21(23,24)25/h5-8,11-12H,3-4,9-10,13,26H2,1-2H3,(H,27,29)
InChIKeyLSFVKYYBGLLMJN-UHFFFAOYSA-N
XLogP4.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.90
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 10479701
ethyl 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-2-[2-(diethylamino)ethoxy]benzoate
CID 70967829
N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 10390905
2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
CID 70967827
tert-butyl N-[2-[2-chloro-4-[2-[2-[2-chloro-4-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]phenoxy]ethyl]-N-methylcarbamate
CID 151460594
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylprop-2-enamide
CID 68876114
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
CID 141088419
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide
CID 162579691
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide (CID 59691580) is N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide is CCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2Cl)cc1N.
What is the InChIKey of N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LSFVKYYBGLLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF3N3O3/c1-3-28(4-2)9-10-30-19-8-6-15(12-17(19)26)27-20(29)13-31-18-7-5-14(11-16(18)22)21(23,24)25/h5-8,11-12H,3-4,9-10,13,26H2,1-2H3,(H,27,29).
What are the key properties of N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide?
N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 459.90 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 59691580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).