benzhydryl 2-[hydroxy(methyl)amino]benzoate

C21H19NO3 — CID 174834838

IUPACbenzhydryl 2-[hydroxy(methyl)amino]benzoate
SMILESCN(O)c1ccccc1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-22(24)19-15-9-8-14-18(19)21(23)25-20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20,24H,1H3
InChIKeyFAHAJEVSZQDQSP-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.46
Rot. Bonds5

About benzhydryl 2-[hydroxy(methyl)amino]benzoate

benzhydryl 2-[hydroxy(methyl)amino]benzoate (PubChem CID 174834838) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzhydryl 2-[hydroxy(methyl)amino]benzoate.

Molecular Properties

Compound Namebenzhydryl 2-[hydroxy(methyl)amino]benzoate
PubChem CID174834838
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namebenzhydryl 2-[hydroxy(methyl)amino]benzoate
SMILESCN(O)c1ccccc1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-22(24)19-15-9-8-14-18(19)21(23)25-20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20,24H,1H3
InChIKeyFAHAJEVSZQDQSP-UHFFFAOYSA-N
XLogP4.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzhydryl 2-(4-phenylbenzoyl)benzoate
CID 126188942
1-(dimethylamino)ethyl 2-(dimethylamino)benzoate
CID 175391310
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
[(4-methylphenyl)-phenylmethyl] 2,3,4,5,6-pentafluorobenzoate
CID 71619878
2-[3,4-bis(benzhydryloxycarbonyl)phenyl]acetic acid
CID 19591445
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
benzhydryl pyridine-4-carboxylate
CID 891439

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[hydroxy(methyl)amino]benzoate?
The IUPAC name of benzhydryl 2-[hydroxy(methyl)amino]benzoate (CID 174834838) is benzhydryl 2-[hydroxy(methyl)amino]benzoate.
What is the SMILES notation for benzhydryl 2-[hydroxy(methyl)amino]benzoate?
The canonical SMILES for benzhydryl 2-[hydroxy(methyl)amino]benzoate is CN(O)c1ccccc1C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-[hydroxy(methyl)amino]benzoate?
The InChIKey is FAHAJEVSZQDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-22(24)19-15-9-8-14-18(19)21(23)25-20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20,24H,1H3.
What are the key properties of benzhydryl 2-[hydroxy(methyl)amino]benzoate?
benzhydryl 2-[hydroxy(methyl)amino]benzoate has a molecular weight of 333.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-[hydroxy(methyl)amino]benzoate is sourced from PubChem (CID 174834838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).