N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide

C19H21ClN2O2 — CID 4930013

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyJKSDWSVQBSAGST-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.53
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide

N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide (PubChem CID 4930013) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
PubChem CID4930013
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyJKSDWSVQBSAGST-UHFFFAOYSA-N
XLogP4.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.53
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

4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide (CID 4930013) is N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide is CC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The InChIKey is JKSDWSVQBSAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4930013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).