(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide

C17H17ClN2O2 — CID 903054

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyFWLBWCIUKHEYLZ-CYBMUJFWSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide

(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide (PubChem CID 903054) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
PubChem CID903054
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyFWLBWCIUKHEYLZ-CYBMUJFWSA-N
XLogP3.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(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-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide (CID 903054) is (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide is Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide?
The InChIKey is FWLBWCIUKHEYLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 903054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).