N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

C18H18ClN3O3 — CID 3336715

IUPACN-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-16-7-5-13(6-8-16)12-20-22-18(24)10-9-17(23)21-15-4-2-3-14(19)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKYUAJAZSDGSUQH-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.22
Rot. Bonds7

About N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 3336715) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
PubChem CID3336715
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-16-7-5-13(6-8-16)12-20-22-18(24)10-9-17(23)21-15-4-2-3-14(19)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKYUAJAZSDGSUQH-UHFFFAOYSA-N
XLogP3.22
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3561944
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
N'-[(3-bromo-4-butoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3901607

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (CID 3336715) is N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is COc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is KYUAJAZSDGSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-25-16-7-5-13(6-8-16)12-20-22-18(24)10-9-17(23)21-15-4-2-3-14(19)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 359.81 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3336715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).