[3-(benzhydrylcarbamoylamino)phenyl] acetate

C22H20N2O3 — CID 108865115

IUPAC[3-(benzhydrylcarbamoylamino)phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16(25)27-20-14-8-13-19(15-20)23-22(26)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,23,24,26)
InChIKeyFDQOCQSSYGCPMT-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.52
Rot. Bonds5

About [3-(benzhydrylcarbamoylamino)phenyl] acetate

[3-(benzhydrylcarbamoylamino)phenyl] acetate (PubChem CID 108865115) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-(benzhydrylcarbamoylamino)phenyl] acetate.

Molecular Properties

Compound Name[3-(benzhydrylcarbamoylamino)phenyl] acetate
PubChem CID108865115
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[3-(benzhydrylcarbamoylamino)phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16(25)27-20-14-8-13-19(15-20)23-22(26)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,23,24,26)
InChIKeyFDQOCQSSYGCPMT-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
CID 108865137
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031

Frequently Asked Questions

What is the IUPAC name of [3-(benzhydrylcarbamoylamino)phenyl] acetate?
The IUPAC name of [3-(benzhydrylcarbamoylamino)phenyl] acetate (CID 108865115) is [3-(benzhydrylcarbamoylamino)phenyl] acetate.
What is the SMILES notation for [3-(benzhydrylcarbamoylamino)phenyl] acetate?
The canonical SMILES for [3-(benzhydrylcarbamoylamino)phenyl] acetate is CC(=O)Oc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(benzhydrylcarbamoylamino)phenyl] acetate?
The InChIKey is FDQOCQSSYGCPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(25)27-20-14-8-13-19(15-20)23-22(26)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,23,24,26).
What are the key properties of [3-(benzhydrylcarbamoylamino)phenyl] acetate?
[3-(benzhydrylcarbamoylamino)phenyl] acetate has a molecular weight of 360.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzhydrylcarbamoylamino)phenyl] acetate is sourced from PubChem (CID 108865115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).