2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide

C16H18ClN3O2 — CID 19579859

IUPAC2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide
SMILESCC(CCc1ccco1)=NNC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-12(7-8-15-6-3-9-22-15)19-20-16(21)11-18-14-5-2-4-13(17)10-14/h2-6,9-10,18H,7-8,11H2,1H3,(H,20,21)
InChIKeyONYYQAJFZVYZJX-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.47
Rot. Bonds7

About 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide

2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide (PubChem CID 19579859) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide
PubChem CID19579859
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide
SMILESCC(CCc1ccco1)=NNC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-12(7-8-15-6-3-9-22-15)19-20-16(21)11-18-14-5-2-4-13(17)10-14/h2-6,9-10,18H,7-8,11H2,1H3,(H,20,21)
InChIKeyONYYQAJFZVYZJX-UHFFFAOYSA-N
XLogP3.47
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.47
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'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide
CID 7308868
N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 40518008
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 6287184
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
1-(3-chloroanilino)propan-2-one
CID 21364413
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
CID 5380292
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 7228655
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide (CID 19579859) is 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide is CC(CCc1ccco1)=NNC(=O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The InChIKey is ONYYQAJFZVYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-12(7-8-15-6-3-9-22-15)19-20-16(21)11-18-14-5-2-4-13(17)10-14/h2-6,9-10,18H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide?
2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide is sourced from PubChem (CID 19579859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).