4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide

C22H20N2O2 — CID 123707757

IUPAC4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide
SMILESC=CN(c1ccccc1)C(O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h2-16,22,26H,1H2,(H,23,25)
InChIKeyUJMLSVUHEOVRMH-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.58
Rot. Bonds6

About 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide

4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide (PubChem CID 123707757) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide
PubChem CID123707757
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide
SMILESC=CN(c1ccccc1)C(O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h2-16,22,26H,1H2,(H,23,25)
InChIKeyUJMLSVUHEOVRMH-UHFFFAOYSA-N
XLogP4.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-(phenylcarbamoyl)benzoate
CID 158012761
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide (CID 123707757) is 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide is C=CN(c1ccccc1)C(O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide?
The InChIKey is UJMLSVUHEOVRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h2-16,22,26H,1H2,(H,23,25).
What are the key properties of 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide?
4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethenylanilino)-hydroxymethyl]-N-phenylbenzamide is sourced from PubChem (CID 123707757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).