(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide

C16H16ClFN2O — CID 2475002

IUPAC(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-8-15(14(17)9-10)19-11(2)16(21)20-13-6-4-12(18)5-7-13/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVIHKFRNFKORXJJ-LLVKDONJSA-N
MW306.77 g/mol
LogP4.23
Rot. Bonds4

About (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide

(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 2475002) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID2475002
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-8-15(14(17)9-10)19-11(2)16(21)20-13-6-4-12(18)5-7-13/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVIHKFRNFKORXJJ-LLVKDONJSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
CID 107606620
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 24614973
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide (CID 2475002) is (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide is Cc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is VIHKFRNFKORXJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-3-8-15(14(17)9-10)19-11(2)16(21)20-13-6-4-12(18)5-7-13/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide?
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 306.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 2475002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).