(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide

C18H19Cl2FN2O — CID 24753203

IUPAC(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide
SMILESCCc1cnc(F)c(CNC(=O)[C@@H](CC)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2FN2O/c1-3-11-7-13(17(21)22-9-11)10-23-18(24)14(4-2)12-5-6-15(19)16(20)8-12/h5-9,14H,3-4,10H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyBSGFWEFOJNJGAZ-AWEZNQCLSA-N
MW369.27 g/mol
LogP4.90
Rot. Bonds6

About (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide

(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide (PubChem CID 24753203) has the molecular formula C18H19Cl2FN2O and a molecular weight of 369.27 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide
PubChem CID24753203
Molecular FormulaC18H19Cl2FN2O
Molecular Weight369.27 g/mol
Exact Mass368.09
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide
SMILESCCc1cnc(F)c(CNC(=O)[C@@H](CC)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2FN2O/c1-3-11-7-13(17(21)22-9-11)10-23-18(24)14(4-2)12-5-6-15(19)16(20)8-12/h5-9,14H,3-4,10H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyBSGFWEFOJNJGAZ-AWEZNQCLSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
CID 71102711
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291
(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
CID 141140195
(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
CID 99716294
2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
CID 143606930
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59670756
(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
CID 143236897
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996155
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide
CID 68545808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide (CID 24753203) is (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide is CCc1cnc(F)c(CNC(=O)[C@@H](CC)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide?
The InChIKey is BSGFWEFOJNJGAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O/c1-3-11-7-13(17(21)22-9-11)10-23-18(24)14(4-2)12-5-6-15(19)16(20)8-12/h5-9,14H,3-4,10H2,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide?
(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide has a molecular weight of 369.27 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 24753203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).