(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide

C19H20ClFN2O2 — CID 11631925

IUPAC(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncc(C2CC2)cc1CNC(=O)[C@@H](C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-11(13-5-6-16(20)17(21)8-13)18(24)22-10-15-7-14(12-3-4-12)9-23-19(15)25-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyYXZVMURDSNXJJN-NSHDSACASA-N
MW362.83 g/mol
LogP4.18
Rot. Bonds6

About (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide

(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 11631925) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID11631925
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncc(C2CC2)cc1CNC(=O)[C@@H](C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-11(13-5-6-16(20)17(21)8-13)18(24)22-10-15-7-14(12-3-4-12)9-23-19(15)25-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyYXZVMURDSNXJJN-NSHDSACASA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide (CID 11631925) is (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide is COc1ncc(C2CC2)cc1CNC(=O)[C@@H](C)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is YXZVMURDSNXJJN-NSHDSACASA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-11(13-5-6-16(20)17(21)8-13)18(24)22-10-15-7-14(12-3-4-12)9-23-19(15)25-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide?
(2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 362.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-fluorophenyl)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 11631925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).