(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide

C16H15BrClFN2O — CID 2571795

IUPAC(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESCc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C16H15BrClFN2O/c1-9-7-12(4-5-13(9)17)20-10(2)16(22)21-15-6-3-11(19)8-14(15)18/h3-8,10,20H,1-2H3,(H,21,22)/t10-/m1/s1
InChIKeyLVDMVJYKHWZWRB-SNVBAGLBSA-N
MW385.66 g/mol
LogP4.99
Rot. Bonds4

About (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide

(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 2571795) has the molecular formula C16H15BrClFN2O and a molecular weight of 385.66 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID2571795
Molecular FormulaC16H15BrClFN2O
Molecular Weight385.66 g/mol
Exact Mass384.00
IUPAC Name(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESCc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C16H15BrClFN2O/c1-9-7-12(4-5-13(9)17)20-10(2)16(22)21-15-6-3-11(19)8-14(15)18/h3-8,10,20H,1-2H3,(H,21,22)/t10-/m1/s1
InChIKeyLVDMVJYKHWZWRB-SNVBAGLBSA-N
XLogP4.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.66
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide (CID 2571795) is (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide is Cc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)ccc1Br.
What is the InChIKey of (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is LVDMVJYKHWZWRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrClFN2O/c1-9-7-12(4-5-13(9)17)20-10(2)16(22)21-15-6-3-11(19)8-14(15)18/h3-8,10,20H,1-2H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
(2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 385.66 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 2571795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).