3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide

C17H13Cl3N2O — CID 7395831

IUPAC3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide
SMILESO=C(N/N=C\[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl3N2O/c18-13-8-4-7-12(9-13)16(23)22-21-10-14-15(17(14,19)20)11-5-2-1-3-6-11/h1-10,14-15H,(H,22,23)/b21-10-/t14-,15+/m1/s1
InChIKeyIQRUVJSXEYRMEC-RNVQKBRISA-N
MW367.66 g/mol
LogP4.64
Rot. Bonds4

About 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide

3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide (PubChem CID 7395831) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide
PubChem CID7395831
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide
SMILESO=C(N/N=C\[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl3N2O/c18-13-8-4-7-12(9-13)16(23)22-21-10-14-15(17(14,19)20)11-5-2-1-3-6-11/h1-10,14-15H,(H,22,23)/b21-10-/t14-,15+/m1/s1
InChIKeyIQRUVJSXEYRMEC-RNVQKBRISA-N
XLogP4.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(Z)-[(1S,3S)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide
CID 5497279
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 92859984
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide (CID 7395831) is 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide is O=C(N/N=C\[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide?
The InChIKey is IQRUVJSXEYRMEC-RNVQKBRISA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c18-13-8-4-7-12(9-13)16(23)22-21-10-14-15(17(14,19)20)11-5-2-1-3-6-11/h1-10,14-15H,(H,22,23)/b21-10-/t14-,15+/m1/s1.
What are the key properties of 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide?
3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide has a molecular weight of 367.66 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-[(1S,3R)-2,2-dichloro-3-phenylcyclopropyl]methylideneamino]benzamide is sourced from PubChem (CID 7395831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).