2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide

C15H19ClN2O2 — CID 116676040

IUPAC2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)=C2CNC2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-6-20-14-5-4-12(7-13(14)16)18-15(19)10(2)11-8-17-9-11/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRXDNKELZKFVLRN-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.99
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide

2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide (PubChem CID 116676040) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide
PubChem CID116676040
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)=C2CNC2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-6-20-14-5-4-12(7-13(14)16)18-15(19)10(2)11-8-17-9-11/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyRXDNKELZKFVLRN-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
2-(azetidin-3-ylidene)-N-(3-bromo-4-methoxyphenyl)propanamide
CID 116678229
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide (CID 116676040) is 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)C(C)=C2CNC2)cc1Cl.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide?
The InChIKey is RXDNKELZKFVLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-6-20-14-5-4-12(7-13(14)16)18-15(19)10(2)11-8-17-9-11/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide has a molecular weight of 294.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide is sourced from PubChem (CID 116676040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).