N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide

C18H19F3N2O4 — CID 55544425

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cccc(OC(F)(F)F)c2)cc1OC
InChIInChI=1S/C18H19F3N2O4/c1-25-15-7-6-12(8-16(15)26-2)10-23-17(24)11-22-13-4-3-5-14(9-13)27-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyHQKMMCQWIAAUBT-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.33
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 55544425) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID55544425
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cccc(OC(F)(F)F)c2)cc1OC
InChIInChI=1S/C18H19F3N2O4/c1-25-15-7-6-12(8-16(15)26-2)10-23-17(24)11-22-13-4-3-5-14(9-13)27-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyHQKMMCQWIAAUBT-UHFFFAOYSA-N
XLogP3.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553002
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003192
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9082453

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide (CID 55544425) is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide is COc1ccc(CNC(=O)CNc2cccc(OC(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is HQKMMCQWIAAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-25-15-7-6-12(8-16(15)26-2)10-23-17(24)11-22-13-4-3-5-14(9-13)27-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 384.35 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 55544425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).