(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide

C17H18ClFN2O — CID 2454561

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-11-3-5-13(6-4-11)10-20-12(2)17(22)21-16-8-7-14(19)9-15(16)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyCJHGXPOGHWPUIO-LBPRGKRZSA-N
MW320.80 g/mol
LogP3.90
Rot. Bonds5

About (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide (PubChem CID 2454561) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide
PubChem CID2454561
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-11-3-5-13(6-4-11)10-20-12(2)17(22)21-16-8-7-14(19)9-15(16)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyCJHGXPOGHWPUIO-LBPRGKRZSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 55478369
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-fluorophenyl)propanamide
CID 8859904

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide (CID 2454561) is (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is CJHGXPOGHWPUIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11-3-5-13(6-4-11)10-20-12(2)17(22)21-16-8-7-14(19)9-15(16)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 2454561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).