2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide

C16H15ClN2O3 — CID 109008524

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O3/c1-10-12(17)3-2-4-13(10)19-16(20)8-18-11-5-6-14-15(7-11)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20)
InChIKeyVMKCRCPRTMZUAS-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.43
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide

2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 109008524) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID109008524
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O3/c1-10-12(17)3-2-4-13(10)19-16(20)8-18-11-5-6-14-15(7-11)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20)
InChIKeyVMKCRCPRTMZUAS-UHFFFAOYSA-N
XLogP3.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 4785291
2-(1,3-benzodioxol-5-ylamino)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 886561
6-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850220
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242254
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide (CID 109008524) is 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CNc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is VMKCRCPRTMZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-12(17)3-2-4-13(10)19-16(20)8-18-11-5-6-14-15(7-11)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide?
2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 318.76 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 109008524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).