(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide

C14H12ClFN2O2 — CID 124574267

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccncc1F
InChIInChI=1S/C14H12ClFN2O2/c1-9(20-11-4-2-3-10(15)7-11)14(19)18-13-5-6-17-8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyDWFDPRUKDNIQES-VIFPVBQESA-N
MW294.71 g/mol
LogP3.28
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide (PubChem CID 124574267) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
PubChem CID124574267
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccncc1F
InChIInChI=1S/C14H12ClFN2O2/c1-9(20-11-4-2-3-10(15)7-11)14(19)18-13-5-6-17-8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyDWFDPRUKDNIQES-VIFPVBQESA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
CID 104820692
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide (CID 124574267) is (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccncc1F.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide?
The InChIKey is DWFDPRUKDNIQES-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-9(20-11-4-2-3-10(15)7-11)14(19)18-13-5-6-17-8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide has a molecular weight of 294.71 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide is sourced from PubChem (CID 124574267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).