N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide

C16H20ClN3O2 — CID 6290102

IUPACN-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C1CC1
InChIInChI=1S/C16H20ClN3O2/c1-10-13(17)4-3-5-14(10)18-15(21)8-9-16(22)20-19-11(2)12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H,18,21)(H,20,22)/b19-11-
InChIKeyOUUCXUXRPOKBPR-ODLFYWEKSA-N
MW321.81 g/mol
LogP3.27
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide

N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide (PubChem CID 6290102) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide
PubChem CID6290102
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C1CC1
InChIInChI=1S/C16H20ClN3O2/c1-10-13(17)4-3-5-14(10)18-15(21)8-9-16(22)20-19-11(2)12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H,18,21)(H,20,22)/b19-11-
InChIKeyOUUCXUXRPOKBPR-ODLFYWEKSA-N
XLogP3.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]butanediamide
CID 5427907
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
CID 126267690
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide (CID 6290102) is N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide is C/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C1CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide?
The InChIKey is OUUCXUXRPOKBPR-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10-13(17)4-3-5-14(10)18-15(21)8-9-16(22)20-19-11(2)12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H,18,21)(H,20,22)/b19-11-.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide?
N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide has a molecular weight of 321.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide is sourced from PubChem (CID 6290102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).