methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate

C23H20ClNO2 — CID 10091032

IUPACmethyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccccc1Cl)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c1-27-23(26)21(16-19-14-8-9-15-20(19)24)25-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyRYHBJJRMLQVYQJ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.96
Rot. Bonds6

About methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate

methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate (PubChem CID 10091032) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate
PubChem CID10091032
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Namemethyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccccc1Cl)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c1-27-23(26)21(16-19-14-8-9-15-20(19)24)25-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyRYHBJJRMLQVYQJ-UHFFFAOYSA-N
XLogP4.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(benzhydrylideneamino)-3-[2-[2-(bromomethyl)phenyl]phenyl]propanoate
CID 91606341
methyl (2S)-2-(benzhydrylideneamino)-3-[2-[2-(bromomethyl)phenyl]phenyl]propanoate;phosphane
CID 161376828
methyl 2-(benzhydrylideneamino)-3-(1-methylindol-3-yl)propanoate
CID 14730475
methyl (2S)-2-(benzhydrylideneamino)-3-[4-(4-ethylphenyl)phenyl]propanoate
CID 58678419
ethyl 2-(benzhydrylideneamino)-3-[2-(bromomethyl)phenyl]propanoate
CID 174437990
methyl 2-(benzhydrylideneamino)hept-4-ynoate
CID 10947131
methyl (2S,4S)-2-(benzhydrylideneamino)-4-nitropentanoate
CID 102216090
tert-butyl 2-(benzhydrylideneamino)-3-(2-iodophenyl)propanoate
CID 74369383
ethyl 2-(benzhydrylideneamino)-3-(2-methoxy-3-pyridinyl)propanoate
CID 87058701
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
CID 81091609
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
5-O-tert-butyl 1-O-methyl 4-(benzhydrylideneamino)-2-methylpentanedioate
CID 73300495

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate (CID 10091032) is methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate is COC(=O)C(Cc1ccccc1Cl)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate?
The InChIKey is RYHBJJRMLQVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-27-23(26)21(16-19-14-8-9-15-20(19)24)25-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate?
methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate has a molecular weight of 377.87 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 10091032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).