3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide

C18H19F3N2O2 — CID 113226067

IUPAC3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cc1N
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-9-8-14(10-15(16)22)17(24)23(12-18(19,20)21)11-13-6-4-3-5-7-13/h3-10H,2,11-12,22H2,1H3
InChIKeySIKPZXCXLXSAMC-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.87
Rot. Bonds6

About 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide

3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 113226067) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID113226067
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cc1N
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-9-8-14(10-15(16)22)17(24)23(12-18(19,20)21)11-13-6-4-3-5-7-13/h3-10H,2,11-12,22H2,1H3
InChIKeySIKPZXCXLXSAMC-UHFFFAOYSA-N
XLogP3.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-benzyl-4-[(3S)-3-fluoro-3-phosphanylbutan-2-yl]-N-(2,2,2-trifluoroethyl)benzamide;manganese
CID 163970796

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 113226067) is 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide is CCOc1ccc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SIKPZXCXLXSAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-25-16-9-8-14(10-15(16)22)17(24)23(12-18(19,20)21)11-13-6-4-3-5-7-13/h3-10H,2,11-12,22H2,1H3.
What are the key properties of 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 352.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 113226067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).