N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide

C18H27ClN2O — CID 6063002

IUPACN-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(\CC)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-3-5-6-7-8-9-13-18(22)21-20-17(4-2)15-11-10-12-16(19)14-15/h10-12,14H,3-9,13H2,1-2H3,(H,21,22)/b20-17+
InChIKeyKJEYUYVVDDVNEV-LVZFUZTISA-N
MW322.88 g/mol
LogP5.32
Rot. Bonds10

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

N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide (PubChem CID 6063002) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
PubChem CID6063002
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(\CC)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-3-5-6-7-8-9-13-18(22)21-20-17(4-2)15-11-10-12-16(19)14-15/h10-12,14H,3-9,13H2,1-2H3,(H,21,22)/b20-17+
InChIKeyKJEYUYVVDDVNEV-LVZFUZTISA-N
XLogP5.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.88
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-(1-phenylpentylideneamino)octanamide
CID 4676930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide?
The IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide (CID 6063002) is N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide.
What is the SMILES notation for N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide?
The canonical SMILES for N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C(\CC)c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide?
The InChIKey is KJEYUYVVDDVNEV-LVZFUZTISA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-3-5-6-7-8-9-13-18(22)21-20-17(4-2)15-11-10-12-16(19)14-15/h10-12,14H,3-9,13H2,1-2H3,(H,21,22)/b20-17+.
What are the key properties of N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide?
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide has a molecular weight of 322.88 g/mol, XLogP of 5.32, 10 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]nonanamide is sourced from PubChem (CID 6063002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).