N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide

C17H17ClN2O — CID 6258037

IUPACN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
SMILESCC/C(=N\NC(=O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-2-16(14-9-6-10-15(18)12-14)19-20-17(21)11-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-16+
InChIKeyMTVPHISTURQSAL-KNTRCKAVSA-N
MW300.79 g/mol
LogP3.81
Rot. Bonds5

About N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide

N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide (PubChem CID 6258037) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
PubChem CID6258037
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
SMILESCC/C(=N\NC(=O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-2-16(14-9-6-10-15(18)12-14)19-20-17(21)11-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-16+
InChIKeyMTVPHISTURQSAL-KNTRCKAVSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.81
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

N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide (CID 6258037) is N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide is CC/C(=N\NC(=O)Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide?
The InChIKey is MTVPHISTURQSAL-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-16(14-9-6-10-15(18)12-14)19-20-17(21)11-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-16+.
What are the key properties of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide?
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide has a molecular weight of 300.79 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6258037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).