N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide

C18H19ClN2O2 — CID 133169613

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+
InChIKeyYMDXOFZPPKMJBX-DEDYPNTBSA-N
MW330.82 g/mol
LogP4.28
Rot. Bonds6

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide (PubChem CID 133169613) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
PubChem CID133169613
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+
InChIKeyYMDXOFZPPKMJBX-DEDYPNTBSA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.28
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

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6379565
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide (CID 133169613) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is YMDXOFZPPKMJBX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).