N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide

C17H15ClN2O5 — CID 24668298

IUPACN-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1NC(C)=O
InChIInChI=1S/C17H15ClN2O5/c1-9(21)19-13-7-11(3-4-14(13)23-2)20-17(22)10-5-12(18)16-15(6-10)24-8-25-16/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQRJLXGZZWXLJJA-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.29
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide

N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide (PubChem CID 24668298) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
PubChem CID24668298
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1NC(C)=O
InChIInChI=1S/C17H15ClN2O5/c1-9(21)19-13-7-11(3-4-14(13)23-2)20-17(22)10-5-12(18)16-15(6-10)24-8-25-16/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQRJLXGZZWXLJJA-UHFFFAOYSA-N
XLogP3.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 8951598
5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55471495
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
ethyl (E)-3-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27902598
7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240
7-chloro-N-(2-fluoro-4-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26700464
N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
6-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 47031678
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide (CID 24668298) is N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide is COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The InChIKey is QRJLXGZZWXLJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-9(21)19-13-7-11(3-4-14(13)23-2)20-17(22)10-5-12(18)16-15(6-10)24-8-25-16/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide has a molecular weight of 362.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24668298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).