2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide

C16H19ClN4O2 — CID 5412429

IUPAC2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide
SMILESCc1nn(C)cc1/C=N\NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-11-12(10-21(4)20-11)9-18-19-15(22)16(2,3)23-14-7-5-13(17)6-8-14/h5-10H,1-4H3,(H,19,22)/b18-9-
InChIKeyAVUWXPTUBUDVBQ-NVMNQCDNSA-N
MW334.81 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide (PubChem CID 5412429) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide
PubChem CID5412429
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide
SMILESCc1nn(C)cc1/C=N\NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-11-12(10-21(4)20-11)9-18-19-15(22)16(2,3)23-14-7-5-13(17)6-8-14/h5-10H,1-4H3,(H,19,22)/b18-9-
InChIKeyAVUWXPTUBUDVBQ-NVMNQCDNSA-N
XLogP2.69
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 5261629
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 154646053
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240
3-(4-chloropyrazol-1-yl)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 6210783
(2S)-2-(3-chloroanilino)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 722446
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide
CID 154645971
2-(4-chloro-3-methylphenoxy)-2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 4510944
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 5261637
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
2-(4-bromoanilino)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 3901836

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide (CID 5412429) is 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide is Cc1nn(C)cc1/C=N\NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide?
The InChIKey is AVUWXPTUBUDVBQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-12(10-21(4)20-11)9-18-19-15(22)16(2,3)23-14-7-5-13(17)6-8-14/h5-10H,1-4H3,(H,19,22)/b18-9-.
What are the key properties of 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide has a molecular weight of 334.81 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 5412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).