4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide

C16H16ClN3O3 — CID 75212169

IUPAC4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C16H16ClN3O3/c1-10(2)19-15(21)13-6-5-11(17)8-14(13)16(22)20-18-9-12-4-3-7-23-12/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQCYIMTIBTDAEOA-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.84
Rot. Bonds5

About 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide

4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide (PubChem CID 75212169) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide
PubChem CID75212169
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C16H16ClN3O3/c1-10(2)19-15(21)13-6-5-11(17)8-14(13)16(22)20-18-9-12-4-3-7-23-12/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQCYIMTIBTDAEOA-UHFFFAOYSA-N
XLogP2.84
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.84
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-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 110525257
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1034838
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
CID 2789048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide?
The IUPAC name of 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide (CID 75212169) is 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide is CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1.
What is the InChIKey of 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide?
The InChIKey is QCYIMTIBTDAEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10(2)19-15(21)13-6-5-11(17)8-14(13)16(22)20-18-9-12-4-3-7-23-12/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide?
4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 75212169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).