4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide

C22H20N2O2 — CID 123496661

IUPAC4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide
SMILESCN(c1ccccc1)C1OC1c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-24(19-10-6-3-7-11-19)22-20(26-22)16-12-14-17(15-13-16)21(25)23-18-8-4-2-5-9-18/h2-15,20,22H,1H3,(H,23,25)
InChIKeyNDLWSJYDPFKPGO-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.47
Rot. Bonds5

About 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide

4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide (PubChem CID 123496661) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide
PubChem CID123496661
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide
SMILESCN(c1ccccc1)C1OC1c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-24(19-10-6-3-7-11-19)22-20(26-22)16-12-14-17(15-13-16)21(25)23-18-8-4-2-5-9-18/h2-15,20,22H,1H3,(H,23,25)
InChIKeyNDLWSJYDPFKPGO-UHFFFAOYSA-N
XLogP4.47
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-phenyl-4-[12-[4-(phenylcarbamoyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-yl]benzamide
CID 3089248
N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 66710123
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide?
The IUPAC name of 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide (CID 123496661) is 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide is CN(c1ccccc1)C1OC1c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide?
The InChIKey is NDLWSJYDPFKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24(19-10-6-3-7-11-19)22-20(26-22)16-12-14-17(15-13-16)21(25)23-18-8-4-2-5-9-18/h2-15,20,22H,1H3,(H,23,25).
What are the key properties of 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide?
4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide is sourced from PubChem (CID 123496661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).