N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide

C16H16ClFN2O2 — CID 51168701

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(18)9-12(13)17/h3-10,19H,1-2H3,(H,20,21)
InChIKeyRSRXJEJLPUZQSE-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.93
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide

N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide (PubChem CID 51168701) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
PubChem CID51168701
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(18)9-12(13)17/h3-10,19H,1-2H3,(H,20,21)
InChIKeyRSRXJEJLPUZQSE-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
CID 86928510
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide (CID 51168701) is N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1NC(C)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is RSRXJEJLPUZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(18)9-12(13)17/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 322.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 51168701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).