N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide

C16H15ClN2O3 — CID 26439030

IUPACN-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O3/c1-10-2-3-11(17)6-13(10)18-8-16(20)19-12-4-5-14-15(7-12)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20)
InChIKeyQAVRHTJMKDMWNC-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.43
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide (PubChem CID 26439030) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
PubChem CID26439030
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O3/c1-10-2-3-11(17)6-13(10)18-8-16(20)19-12-4-5-14-15(7-12)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20)
InChIKeyQAVRHTJMKDMWNC-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

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30717019

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide (CID 26439030) is N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide is Cc1ccc(Cl)cc1NCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide?
The InChIKey is QAVRHTJMKDMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-2-3-11(17)6-13(10)18-8-16(20)19-12-4-5-14-15(7-12)22-9-21-14/h2-7,18H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)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 N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 26439030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).