7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

C20H20ClN3O5 — CID 30780233

IUPAC7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1
InChIInChI=1S/C20H20ClN3O5/c21-16-9-13(10-17-19(16)29-12-28-17)20(26)23-15-3-1-14(2-4-15)22-18(25)11-24-5-7-27-8-6-24/h1-4,9-10H,5-8,11-12H2,(H,22,25)(H,23,26)
InChIKeyLZHWCJXQGVPIDR-UHFFFAOYSA-N
MW417.85 g/mol
LogP2.59
Rot. Bonds5

About 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 30780233) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID30780233
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1
InChIInChI=1S/C20H20ClN3O5/c21-16-9-13(10-17-19(16)29-12-28-17)20(26)23-15-3-1-14(2-4-15)22-18(25)11-24-5-7-27-8-6-24/h1-4,9-10H,5-8,11-12H2,(H,22,25)(H,23,26)
InChIKeyLZHWCJXQGVPIDR-UHFFFAOYSA-N
XLogP2.59
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55767444
4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 52673868
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethyl (E)-3-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27902598
7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 24628747
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 30780233) is 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1.
What is the InChIKey of 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LZHWCJXQGVPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c21-16-9-13(10-17-19(16)29-12-28-17)20(26)23-15-3-1-14(2-4-15)22-18(25)11-24-5-7-27-8-6-24/h1-4,9-10H,5-8,11-12H2,(H,22,25)(H,23,26).
What are the key properties of 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 30780233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).