5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide

C11H13ClN2O — CID 114614975

IUPAC5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyCRSTVJZMPCDNHU-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.23
Rot. Bonds3

About 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide

5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114614975) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
PubChem CID114614975
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyCRSTVJZMPCDNHU-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
CID 175576668
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114614956
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide (CID 114614975) is 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is CRSTVJZMPCDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15).
What are the key properties of 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide?
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 224.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114614975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).