(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

C18H18F3N3O3 — CID 2474098

IUPAC(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26)/t9-/m1/s1
InChIKeyFUQITBRZYGKPHI-SECBINFHSA-N
MW381.35 g/mol
LogP3.51
Rot. Bonds6

About (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 2474098) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID2474098
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26)/t9-/m1/s1
InChIKeyFUQITBRZYGKPHI-SECBINFHSA-N
XLogP3.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474947
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474949
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 2474098) is (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is FUQITBRZYGKPHI-SECBINFHSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26)/t9-/m1/s1.
What are the key properties of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 381.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 2474098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).