(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide

C20H17ClFN3O2 — CID 57405904

IUPAC(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
SMILESC[C@H](Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C20H17ClFN3O2/c1-12(20(23)26)24-19-11-14(21)10-18(25-19)13-2-6-16(7-3-13)27-17-8-4-15(22)5-9-17/h2-12H,1H3,(H2,23,26)(H,24,25)/t12-/m0/s1
InChIKeyNJZJGCMIGKITMW-LBPRGKRZSA-N
MW385.83 g/mol
LogP4.62
Rot. Bonds6

About (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide

(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide (PubChem CID 57405904) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
PubChem CID57405904
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
SMILESC[C@H](Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C20H17ClFN3O2/c1-12(20(23)26)24-19-11-14(21)10-18(25-19)13-2-6-16(7-3-13)27-17-8-4-15(22)5-9-17/h2-12H,1H3,(H2,23,26)(H,24,25)/t12-/m0/s1
InChIKeyNJZJGCMIGKITMW-LBPRGKRZSA-N
XLogP4.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide (CID 57405904) is (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide is C[C@H](Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The InChIKey is NJZJGCMIGKITMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12(20(23)26)24-19-11-14(21)10-18(25-19)13-2-6-16(7-3-13)27-17-8-4-15(22)5-9-17/h2-12H,1H3,(H2,23,26)(H,24,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
(2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide has a molecular weight of 385.83 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 57405904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).