(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

C16H15F3N2O2 — CID 7928461

IUPAC(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-9(20-10-3-5-11(23-2)6-4-10)16(22)21-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyCIBWFIDPFMVANR-SECBINFHSA-N
MW324.30 g/mol
LogP3.55
Rot. Bonds5

About (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7928461) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7928461
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-9(20-10-3-5-11(23-2)6-4-10)16(22)21-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyCIBWFIDPFMVANR-SECBINFHSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-(1,3-benzodioxol-5-ylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4780583
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 7928461) is (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is CIBWFIDPFMVANR-SECBINFHSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-9(20-10-3-5-11(23-2)6-4-10)16(22)21-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 324.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7928461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).