[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate

C23H22ClNO2 — CID 21037585

IUPAC[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate
SMILESCc1ccc(C(OC(=O)C(C)N)(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C23H22ClNO2/c1-16-12-14-19(15-13-16)23(27-22(26)17(2)25,18-8-4-3-5-9-18)20-10-6-7-11-21(20)24/h3-15,17H,25H2,1-2H3
InChIKeyYZIUYYALYHNGOZ-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.83
Rot. Bonds5

About [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate (PubChem CID 21037585) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate.

Molecular Properties

Compound Name[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate
PubChem CID21037585
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate
SMILESCc1ccc(C(OC(=O)C(C)N)(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C23H22ClNO2/c1-16-12-14-19(15-13-16)23(27-22(26)17(2)25,18-8-4-3-5-9-18)20-10-6-7-11-21(20)24/h3-15,17H,25H2,1-2H3
InChIKeyYZIUYYALYHNGOZ-UHFFFAOYSA-N
XLogP4.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2R)-2-amino-3-[(2-chlorophenyl)-diphenylmethyl]sulfanylpropanoate
CID 51341078
5-O-tert-butyl 1-O-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-2-aminopentanedioate
CID 51341083
1-O-tert-butyl 5-O-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopentanedioate;phosphane
CID 162076373
(2S)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-methylbutan-2-amine
CID 51341320
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 3-aminobenzoate
CID 51341065
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 51341091
1-O-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 4-O-(9H-fluoren-9-ylmethyl) (2S)-2-[(2S)-butan-2-yl]butanedioate
CID 164960010
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] heptanoate
CID 59409015
[(2-chlorophenyl)-phenyl-(4-propylphenyl)methyl] 2-amino-3-sulfanylpropanoate
CID 155745443
tert-butyl (3S)-3-amino-4-[[(2R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-4-oxobutanoate
CID 153492232
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 51341072
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxypentanoate
CID 59963061

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate?
The IUPAC name of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate (CID 21037585) is [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate.
What is the SMILES notation for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate?
The canonical SMILES for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate is Cc1ccc(C(OC(=O)C(C)N)(c2ccccc2)c2ccccc2Cl)cc1.
What is the InChIKey of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate?
The InChIKey is YZIUYYALYHNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16-12-14-19(15-13-16)23(27-22(26)17(2)25,18-8-4-3-5-9-18)20-10-6-7-11-21(20)24/h3-15,17H,25H2,1-2H3.
What are the key properties of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate?
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate has a molecular weight of 379.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate is sourced from PubChem (CID 21037585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).