N-[(prop-2-enoylamino)methyl]benzamide

C11H12N2O2 — CID 46707282

IUPACN-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-10(14)12-8-13-11(15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,14)(H,13,15)
InChIKeyFGKZHTDQHBTVOR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds4

About N-[(prop-2-enoylamino)methyl]benzamide

N-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 46707282) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(prop-2-enoylamino)methyl]benzamide
PubChem CID46707282
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-10(14)12-8-13-11(15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,14)(H,13,15)
InChIKeyFGKZHTDQHBTVOR-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 173161904
CID 173161904
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formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
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CID 174760685
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-(2-sulfonylethyl)benzamide
CID 151291647
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CID 10775246
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Frequently Asked Questions

What is the IUPAC name of N-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-[(prop-2-enoylamino)methyl]benzamide (CID 46707282) is N-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCNC(=O)c1ccccc1.
What is the InChIKey of N-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is FGKZHTDQHBTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-10(14)12-8-13-11(15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,14)(H,13,15).
What are the key properties of N-[(prop-2-enoylamino)methyl]benzamide?
N-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 46707282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).