(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C15H17ClFN3O2 — CID 95625411

IUPAC(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H17ClFN3O2/c1-10(22-14-5-4-12(17)6-13(14)16)15(21)19(2)8-11-7-18-20(3)9-11/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChIKeyMEMQXWCZOAXUJK-JTQLQIEISA-N
MW325.77 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 95625411) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID95625411
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H17ClFN3O2/c1-10(22-14-5-4-12(17)6-13(14)16)15(21)19(2)8-11-7-18-20(3)9-11/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChIKeyMEMQXWCZOAXUJK-JTQLQIEISA-N
XLogP2.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
2-[2-chloro-4-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propanoic acid
CID 91790493
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 51266512
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45169642
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 95625411) is (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is MEMQXWCZOAXUJK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c1-10(22-14-5-4-12(17)6-13(14)16)15(21)19(2)8-11-7-18-20(3)9-11/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
(2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 325.77 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 95625411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).