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

C19H22FN3O3 — CID 35960984

IUPAC(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-12(19(25)21-11-14-4-6-15(20)7-5-14)22-17-10-16(23-13(2)24)8-9-18(17)26-3/h4-10,12,22H,11H2,1-3H3,(H,21,25)(H,23,24)/t12-/m1/s1
InChIKeyWOAISAGDIJNDOA-GFCCVEGCSA-N
MW359.40 g/mol
LogP2.91
Rot. Bonds7

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

(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 35960984) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID35960984
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-12(19(25)21-11-14-4-6-15(20)7-5-14)22-17-10-16(23-13(2)24)8-9-18(17)26-3/h4-10,12,22H,11H2,1-3H3,(H,21,25)(H,23,24)/t12-/m1/s1
InChIKeyWOAISAGDIJNDOA-GFCCVEGCSA-N
XLogP2.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.91
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-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474947
(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
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
CID 34299749
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
CID 87033327
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715
(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7777360
N-[5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111231056
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide (CID 35960984) is (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide is COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is WOAISAGDIJNDOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(19(25)21-11-14-4-6-15(20)7-5-14)22-17-10-16(23-13(2)24)8-9-18(17)26-3/h4-10,12,22H,11H2,1-3H3,(H,21,25)(H,23,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide?
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 359.40 g/mol, XLogP of 2.91, 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-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 35960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).