2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide

C18H19ClN2O3 — CID 4258751

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-9-16(7-8-17(12)19)24-13(2)18(22)21-20-11-14-5-4-6-15(10-14)23-3/h4-11,13H,1-3H3,(H,21,22)
InChIKeyKRDJKIAHPVHLFX-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.57
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide

2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 4258751) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
PubChem CID4258751
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-9-16(7-8-17(12)19)24-13(2)18(22)21-20-11-14-5-4-6-15(10-14)23-3/h4-11,13H,1-3H3,(H,21,22)
InChIKeyKRDJKIAHPVHLFX-UHFFFAOYSA-N
XLogP3.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.57
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-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
CID 5431291
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
CID 137206859
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide (CID 4258751) is 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide is COc1cccc(C=NNC(=O)C(C)Oc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is KRDJKIAHPVHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-9-16(7-8-17(12)19)24-13(2)18(22)21-20-11-14-5-4-6-15(10-14)23-3/h4-11,13H,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 4258751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).