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

C11H12N2O2 — CID 61250831

IUPAC3-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H12N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h2-6H,1,7H2,(H2,12,15)(H,13,14)
InChIKeyCSXXGWWZOIEVCR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.59
Rot. Bonds4

About 3-[(prop-2-enoylamino)methyl]benzamide

3-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 61250831) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(prop-2-enoylamino)methyl]benzamide
PubChem CID61250831
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H12N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h2-6H,1,7H2,(H2,12,15)(H,13,14)
InChIKeyCSXXGWWZOIEVCR-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(carbamoylamino)methyl]benzamide
CID 166184789
[3-[(prop-2-enoylamino)methyl]phenyl]carbamic acid
CID 138682583
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612

Frequently Asked Questions

What is the IUPAC name of 3-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of 3-[(prop-2-enoylamino)methyl]benzamide (CID 61250831) is 3-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for 3-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for 3-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is CSXXGWWZOIEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h2-6H,1,7H2,(H2,12,15)(H,13,14).
What are the key properties of 3-[(prop-2-enoylamino)methyl]benzamide?
3-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 61250831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).