3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide

C18H19ClN2O — CID 5218597

IUPAC3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O/c1-3-5-14-8-10-15(11-9-14)13(2)20-21-18(22)16-6-4-7-17(19)12-16/h4,6-12H,3,5H2,1-2H3,(H,21,22)
InChIKeyCFJCMRHDZMMUJS-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.45
Rot. Bonds5

About 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide

3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide (PubChem CID 5218597) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
PubChem CID5218597
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O/c1-3-5-14-8-10-15(11-9-14)13(2)20-21-18(22)16-6-4-7-17(19)12-16/h4,6-12H,3,5H2,1-2H3,(H,21,22)
InChIKeyCFJCMRHDZMMUJS-UHFFFAOYSA-N
XLogP4.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
CID 5002814
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide (CID 5218597) is 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide is CCCc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The InChIKey is CFJCMRHDZMMUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-3-5-14-8-10-15(11-9-14)13(2)20-21-18(22)16-6-4-7-17(19)12-16/h4,6-12H,3,5H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide has a molecular weight of 314.82 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5218597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).