N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H21F3N2O2 — CID 56552881

IUPACN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccccc1CN(C(=O)CNc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-8-3-2-5-14(18)13-25(17-9-10-17)19(26)12-24-16-7-4-6-15(11-16)20(21,22)23/h2-8,11,17,24H,9-10,12-13H2,1H3
InChIKeyRKKNWMIJIINWJH-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.32
Rot. Bonds7

About N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552881) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552881
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccccc1CN(C(=O)CNc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-8-3-2-5-14(18)13-25(17-9-10-17)19(26)12-24-16-7-4-6-15(11-16)20(21,22)23/h2-8,11,17,24H,9-10,12-13H2,1H3
InChIKeyRKKNWMIJIINWJH-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546555
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
CID 47049656
1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552560
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552881) is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is COc1ccccc1CN(C(=O)CNc1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is RKKNWMIJIINWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-27-18-8-3-2-5-14(18)13-25(17-9-10-17)19(26)12-24-16-7-4-6-15(11-16)20(21,22)23/h2-8,11,17,24H,9-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 378.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).