4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide

C16H21ClN2O — CID 678796

IUPAC4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H21ClN2O/c1-10(13-15(2,3)16(13,4)5)18-19-14(20)11-6-8-12(17)9-7-11/h6-9,13H,1-5H3,(H,19,20)
InChIKeyOPVLVLLGWZRVPN-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide

4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide (PubChem CID 678796) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
PubChem CID678796
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H21ClN2O/c1-10(13-15(2,3)16(13,4)5)18-19-14(20)11-6-8-12(17)9-7-11/h6-9,13H,1-5H3,(H,19,20)
InChIKeyOPVLVLLGWZRVPN-UHFFFAOYSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
CID 59956653
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-acetyl-4-chlorobenzamide
CID 11735747
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
CID 71950811
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide (CID 678796) is 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Cl)cc1)C1C(C)(C)C1(C)C.
What is the InChIKey of 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide?
The InChIKey is OPVLVLLGWZRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10(13-15(2,3)16(13,4)5)18-19-14(20)11-6-8-12(17)9-7-11/h6-9,13H,1-5H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide?
4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide has a molecular weight of 292.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide is sourced from PubChem (CID 678796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).