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

C16H15BrClFN2O — CID 2571792

IUPAC(2S)-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-/m0/s1
InChIKeyLVDMVJYKHWZWRB-JTQLQIEISA-N
MW385.66 g/mol
LogP4.99
Rot. Bonds4

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

(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 2571792) has the molecular formula C16H15BrClFN2O and a molecular weight of 385.66 g/mol. Its IUPAC name is (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID2571792
Molecular FormulaC16H15BrClFN2O
Molecular Weight385.66 g/mol
Exact Mass384.00
IUPAC Name(2S)-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-/m0/s1
InChIKeyLVDMVJYKHWZWRB-JTQLQIEISA-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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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]propanamide
CID 25330966
2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 24614973
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 25392276
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide (CID 2571792) is (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-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 (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is LVDMVJYKHWZWRB-JTQLQIEISA-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-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
(2S)-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 (2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 2571792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).