N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide

C18H20ClN3O3 — CID 7308868

IUPACN-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-13(7-8-16-6-3-11-25-16)21-22-18(24)10-9-17(23)20-15-5-2-4-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,23)(H,22,24)/b21-13+
InChIKeyXFPBAUGOFBOZRQ-FYJGNVAPSA-N
MW361.83 g/mol
LogP3.78
Rot. Bonds8

About N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide

N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide (PubChem CID 7308868) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide
PubChem CID7308868
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-13(7-8-16-6-3-11-25-16)21-22-18(24)10-9-17(23)20-15-5-2-4-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,23)(H,22,24)/b21-13+
InChIKeyXFPBAUGOFBOZRQ-FYJGNVAPSA-N
XLogP3.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.78
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

2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 19579859
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 6287184
3-(furan-2-yl)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60630108
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 40518008
[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
CID 5380292
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide (CID 7308868) is N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide is C/C(CCc1ccco1)=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide?
The InChIKey is XFPBAUGOFBOZRQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13(7-8-16-6-3-11-25-16)21-22-18(24)10-9-17(23)20-15-5-2-4-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,23)(H,22,24)/b21-13+.
What are the key properties of N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide?
N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide has a molecular weight of 361.83 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide is sourced from PubChem (CID 7308868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).