2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid

C21H18ClNO2 — CID 67323005

IUPAC2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-14-8-7-13-18(19)21(23-15-20(24)25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,25)
InChIKeyPEDNEQGGXROCDF-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.31
Rot. Bonds6

About 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid

2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid (PubChem CID 67323005) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
PubChem CID67323005
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-14-8-7-13-18(19)21(23-15-20(24)25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,25)
InChIKeyPEDNEQGGXROCDF-UHFFFAOYSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(tritylamino)acetate
CID 637611
N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine
CID 22660829
N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
CID 22660831
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
CID 174409827
1-chloro-2-[iodo(diphenyl)methyl]benzene
CID 143164382
3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 83920345
[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
CID 67679535
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
CID 105497059
2-(carboxymethylamino)-2-phenyl-2-sulfoacetic acid
CID 174349470

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid?
The IUPAC name of 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid (CID 67323005) is 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid?
The canonical SMILES for 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid is O=C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid?
The InChIKey is PEDNEQGGXROCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-19-14-8-7-13-18(19)21(23-15-20(24)25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,25).
What are the key properties of 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid?
2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid has a molecular weight of 351.83 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid is sourced from PubChem (CID 67323005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).