4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide

C12H13ClN2O — CID 5398069

IUPAC4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H13ClN2O/c1-8(9-2-3-9)14-15-12(16)10-4-6-11(13)7-5-10/h4-7,9H,2-3H2,1H3,(H,15,16)/b14-8-
InChIKeyBFAKLFYPRAVPAK-ZSOIEALJSA-N
MW236.70 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide

4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide (PubChem CID 5398069) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
PubChem CID5398069
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H13ClN2O/c1-8(9-2-3-9)14-15-12(16)10-4-6-11(13)7-5-10/h4-7,9H,2-3H2,1H3,(H,15,16)/b14-8-
InChIKeyBFAKLFYPRAVPAK-ZSOIEALJSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.86
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-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
CID 678796
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
CID 913667
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
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-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-acetyl-4-chlorobenzamide
CID 11735747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide (CID 5398069) is 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The InChIKey is BFAKLFYPRAVPAK-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(9-2-3-9)14-15-12(16)10-4-6-11(13)7-5-10/h4-7,9H,2-3H2,1H3,(H,15,16)/b14-8-.
What are the key properties of 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide has a molecular weight of 236.70 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide is sourced from PubChem (CID 5398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).