N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide

C22H25ClN2O — CID 42628288

IUPACN-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)C(CCl)C1CCCCC1
InChIInChI=1S/C22H25ClN2O/c23-16-20(17-10-4-1-5-11-17)22(26)25-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H,25,26)
InChIKeyQWRCXEXELYGFKN-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.99
Rot. Bonds6

About N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide

N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide (PubChem CID 42628288) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide
PubChem CID42628288
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC NameN-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)C(CCl)C1CCCCC1
InChIInChI=1S/C22H25ClN2O/c23-16-20(17-10-4-1-5-11-17)22(26)25-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H,25,26)
InChIKeyQWRCXEXELYGFKN-UHFFFAOYSA-N
XLogP4.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.99
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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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide?
The IUPAC name of N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide (CID 42628288) is N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide?
The canonical SMILES for N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide is O=C(NN=C(c1ccccc1)c1ccccc1)C(CCl)C1CCCCC1.
What is the InChIKey of N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide?
The InChIKey is QWRCXEXELYGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-16-20(17-10-4-1-5-11-17)22(26)25-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H,25,26).
What are the key properties of N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide?
N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide has a molecular weight of 368.91 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3-chloro-2-cyclohexylpropanamide is sourced from PubChem (CID 42628288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).