2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide

C17H17ClN2O — CID 6390102

IUPAC2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-16(14-6-4-3-5-7-14)19-20-17(21)12-13-8-10-15(18)11-9-13/h3-11H,2,12H2,1H3,(H,20,21)/b19-16+
InChIKeyDEBGKEVOFVWPGA-KNTRCKAVSA-N
MW300.79 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide (PubChem CID 6390102) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
PubChem CID6390102
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-16(14-6-4-3-5-7-14)19-20-17(21)12-13-8-10-15(18)11-9-13/h3-11H,2,12H2,1H3,(H,20,21)/b19-16+
InChIKeyDEBGKEVOFVWPGA-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

2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide (CID 6390102) is 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide is CC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide?
The InChIKey is DEBGKEVOFVWPGA-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-16(14-6-4-3-5-7-14)19-20-17(21)12-13-8-10-15(18)11-9-13/h3-11H,2,12H2,1H3,(H,20,21)/b19-16+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide 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 2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6390102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).