(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide

C16H19ClFN3O3 — CID 97262521

IUPAC(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1c(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c(C)nn1C
InChIInChI=1S/C16H19ClFN3O3/c1-9-12(16(23-4)21(3)20-9)8-19-15(22)10(2)24-14-6-5-11(18)7-13(14)17/h5-7,10H,8H2,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyFXANMJWHCZKBCA-JTQLQIEISA-N
MW355.80 g/mol
LogP2.61
Rot. Bonds6

About (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide

(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 97262521) has the molecular formula C16H19ClFN3O3 and a molecular weight of 355.80 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide
PubChem CID97262521
Molecular FormulaC16H19ClFN3O3
Molecular Weight355.80 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1c(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c(C)nn1C
InChIInChI=1S/C16H19ClFN3O3/c1-9-12(16(23-4)21(3)20-9)8-19-15(22)10(2)24-14-6-5-11(18)7-13(14)17/h5-7,10H,8H2,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyFXANMJWHCZKBCA-JTQLQIEISA-N
XLogP2.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide with MolForge

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 97064313
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]propanamide
CID 95625436
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 96534449
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
3-chloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-(1-phenoxyethyl)benzamide
CID 126751785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide (CID 97262521) is (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide is COc1c(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c(C)nn1C.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is FXANMJWHCZKBCA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19ClFN3O3/c1-9-12(16(23-4)21(3)20-9)8-19-15(22)10(2)24-14-6-5-11(18)7-13(14)17/h5-7,10H,8H2,1-4H3,(H,19,22)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide?
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 355.80 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 97262521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).