(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C20H24FN3O3 — CID 2474947

IUPAC(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c1-12(15-5-7-16(21)8-6-15)23-20(26)13(2)22-18-11-17(24-14(3)25)9-10-19(18)27-4/h5-13,22H,1-4H3,(H,23,26)(H,24,25)/t12-,13-/m1/s1
InChIKeyUTAZPIYBYSCGFE-CHWSQXEVSA-N
MW373.43 g/mol
LogP3.47
Rot. Bonds7

About (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 2474947) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID2474947
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c1-12(15-5-7-16(21)8-6-15)23-20(26)13(2)22-18-11-17(24-14(3)25)9-10-19(18)27-4/h5-13,22H,1-4H3,(H,23,26)(H,24,25)/t12-,13-/m1/s1
InChIKeyUTAZPIYBYSCGFE-CHWSQXEVSA-N
XLogP3.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
1-[1-(4-fluorophenyl)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031768
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 2474947) is (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is UTAZPIYBYSCGFE-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12(15-5-7-16(21)8-6-15)23-20(26)13(2)22-18-11-17(24-14(3)25)9-10-19(18)27-4/h5-13,22H,1-4H3,(H,23,26)(H,24,25)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 373.43 g/mol, XLogP of 3.47, 7 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-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 2474947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).