(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide

C19H21FN2O3 — CID 9232605

IUPAC(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide
SMILESCOc1ccc(C)cc1/C(C)=N\NC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-12-9-10-17(24-4)15(11-12)13(2)21-22-19(23)14(3)25-18-8-6-5-7-16(18)20/h5-11,14H,1-4H3,(H,22,23)/b21-13-/t14-/m1/s1
InChIKeyKQVCDGJNOQVQSZ-SFDYMUJDSA-N
MW344.39 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide

(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide (PubChem CID 9232605) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide
PubChem CID9232605
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide
SMILESCOc1ccc(C)cc1/C(C)=N\NC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-12-9-10-17(24-4)15(11-12)13(2)21-22-19(23)14(3)25-18-8-6-5-7-16(18)20/h5-11,14H,1-4H3,(H,22,23)/b21-13-/t14-/m1/s1
InChIKeyKQVCDGJNOQVQSZ-SFDYMUJDSA-N
XLogP3.45
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide
CID 9151683
1-(2,5-dimethylphenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412979
2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9352050
1-(2,5-dimethylphenyl)-3-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]thiourea
CID 8679668
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
CID 51980854
2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide (CID 9232605) is (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide is COc1ccc(C)cc1/C(C)=N\NC(=O)[C@@H](C)Oc1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide?
The InChIKey is KQVCDGJNOQVQSZ-SFDYMUJDSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-9-10-17(24-4)15(11-12)13(2)21-22-19(23)14(3)25-18-8-6-5-7-16(18)20/h5-11,14H,1-4H3,(H,22,23)/b21-13-/t14-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide has a molecular weight of 344.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 9232605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).