N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide

C16H13ClN2O4 — CID 2393470

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13ClN2O4/c17-8-15(20)19-12-4-2-1-3-11(12)16(21)18-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyNYZGTUCQLQLOTI-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.84
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide (PubChem CID 2393470) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide
PubChem CID2393470
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13ClN2O4/c17-8-15(20)19-12-4-2-1-3-11(12)16(21)18-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyNYZGTUCQLQLOTI-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(3-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669571
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide
CID 7996472
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
1-(3-Acetylphenyl)-3-(1,3-benzodioxol-5-yl)urea
CID 17282501
N-(1,3-benzodioxol-5-yl)-2-methylbenzamide
CID 652863

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide (CID 2393470) is N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide is O=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide?
The InChIKey is NYZGTUCQLQLOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-8-15(20)19-12-4-2-1-3-11(12)16(21)18-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide has a molecular weight of 332.74 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide is sourced from PubChem (CID 2393470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).