N-benzhydrylprop-2-enamide

C16H15NO — CID 12027357

IUPACN-benzhydrylprop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18)
InChIKeySHXRPEYRCYQSFS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.08
Rot. Bonds4

About N-benzhydrylprop-2-enamide

N-benzhydrylprop-2-enamide (PubChem CID 12027357) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-benzhydrylprop-2-enamide.

Molecular Properties

Compound NameN-benzhydrylprop-2-enamide
PubChem CID12027357
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-benzhydrylprop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18)
InChIKeySHXRPEYRCYQSFS-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzhydrylprop-2-enamide?
The IUPAC name of N-benzhydrylprop-2-enamide (CID 12027357) is N-benzhydrylprop-2-enamide.
What is the SMILES notation for N-benzhydrylprop-2-enamide?
The canonical SMILES for N-benzhydrylprop-2-enamide is C=CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylprop-2-enamide?
The InChIKey is SHXRPEYRCYQSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18).
What are the key properties of N-benzhydrylprop-2-enamide?
N-benzhydrylprop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylprop-2-enamide is sourced from PubChem (CID 12027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).