(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide

C18H20F2N2O2 — CID 25346916

IUPAC(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C18H20F2N2O2/c1-11-8-9-14(10-12(11)2)21-13(3)17(23)22-15-6-4-5-7-16(15)24-18(19)20/h4-10,13,18,21H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyGCNHCBKSDYYEKE-CYBMUJFWSA-N
MW334.37 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide

(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide (PubChem CID 25346916) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
PubChem CID25346916
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C18H20F2N2O2/c1-11-8-9-14(10-12(11)2)21-13(3)17(23)22-15-6-4-5-7-16(15)24-18(19)20/h4-10,13,18,21H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyGCNHCBKSDYYEKE-CYBMUJFWSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736878
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide?
The IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide (CID 25346916) is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide.
What is the SMILES notation for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide?
The canonical SMILES for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide is Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C.
What is the InChIKey of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide?
The InChIKey is GCNHCBKSDYYEKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-8-9-14(10-12(11)2)21-13(3)17(23)22-15-6-4-5-7-16(15)24-18(19)20/h4-10,13,18,21H,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide?
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide has a molecular weight of 334.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide is sourced from PubChem (CID 25346916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).