N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide

C18H18ClN3O3 — CID 5003294

IUPACN'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C18H18ClN3O3/c1-25-16-8-7-14(19)11-13(16)12-20-22-18(24)10-9-17(23)21-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZHOAQPNCFZSRPC-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.22
Rot. Bonds7

About N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide

N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide (PubChem CID 5003294) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
PubChem CID5003294
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C18H18ClN3O3/c1-25-16-8-7-14(19)11-13(16)12-20-22-18(24)10-9-17(23)21-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZHOAQPNCFZSRPC-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-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3589426
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4552108
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3999806
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
CID 126271169
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide?
The IUPAC name of N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide (CID 5003294) is N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide.
What is the SMILES notation for N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide?
The canonical SMILES for N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide is COc1ccc(Cl)cc1C=NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide?
The InChIKey is ZHOAQPNCFZSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-25-16-8-7-14(19)11-13(16)12-20-22-18(24)10-9-17(23)21-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide?
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide 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'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide is sourced from PubChem (CID 5003294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).