3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide

C20H18Cl2N4O2 — CID 1240483

IUPAC3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
SMILESO=C(NN=C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-5-1-3-13(11-15)19(27)25-23-17-7-9-18(10-8-17)24-26-20(28)14-4-2-6-16(22)12-14/h1-6,11-12H,7-10H2,(H,25,27)(H,26,28)/b23-17-,24-18+
InChIKeyYQCHRIVORYMDPF-QFFDILLMSA-N
MW417.30 g/mol
LogP4.44
Rot. Bonds4

About 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide

3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide (PubChem CID 1240483) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
PubChem CID1240483
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
SMILESO=C(NN=C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-5-1-3-13(11-15)19(27)25-23-17-7-9-18(10-8-17)24-26-20(28)14-4-2-6-16(22)12-14/h1-6,11-12H,7-10H2,(H,25,27)(H,26,28)/b23-17-,24-18+
InChIKeyYQCHRIVORYMDPF-QFFDILLMSA-N
XLogP4.44
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.44
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

3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
CID 46741785
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N-(cyclododecylideneamino)benzamide
CID 4147051
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174950
3-chloro-N-[(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174948
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide?
The IUPAC name of 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide (CID 1240483) is 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide?
The canonical SMILES for 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide is O=C(NN=C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide?
The InChIKey is YQCHRIVORYMDPF-QFFDILLMSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c21-15-5-1-3-13(11-15)19(27)25-23-17-7-9-18(10-8-17)24-26-20(28)14-4-2-6-16(22)12-14/h1-6,11-12H,7-10H2,(H,25,27)(H,26,28)/b23-17-,24-18+.
What are the key properties of 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide?
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide has a molecular weight of 417.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide is sourced from PubChem (CID 1240483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).