3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide

C26H23Cl2N3O2 — CID 5156115

IUPAC3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H23Cl2N3O2/c27-22-15-12-19(16-23(22)28)25(32)29-24-9-5-4-8-21(24)26(33)31-30-20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-9,12,15-16,18H,10-11,13-14H2,(H,29,32)(H,31,33)/b30-20-
InChIKeyITOHKOUJFSBRMR-COEJQBHMSA-N
MW480.40 g/mol
LogP6.69
Rot. Bonds5

About 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide

3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide (PubChem CID 5156115) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide
PubChem CID5156115
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC Name3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H23Cl2N3O2/c27-22-15-12-19(16-23(22)28)25(32)29-24-9-5-4-8-21(24)26(33)31-30-20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-9,12,15-16,18H,10-11,13-14H2,(H,29,32)(H,31,33)/b30-20-
InChIKeyITOHKOUJFSBRMR-COEJQBHMSA-N
XLogP6.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 5161508
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
CID 17337814
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
2-methyl-N-[(4-phenylcyclohexylidene)amino]pyrazole-3-carboxamide
CID 674622
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
CID 4594839
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide (CID 5156115) is 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide?
The InChIKey is ITOHKOUJFSBRMR-COEJQBHMSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c27-22-15-12-19(16-23(22)28)25(32)29-24-9-5-4-8-21(24)26(33)31-30-20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-9,12,15-16,18H,10-11,13-14H2,(H,29,32)(H,31,33)/b30-20-.
What are the key properties of 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide?
3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide has a molecular weight of 480.40 g/mol, XLogP of 6.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 5156115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).