7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide

C20H15ClN2O4 — CID 55767444

IUPAC7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H15ClN2O4/c21-16-9-14(10-17-19(16)27-12-26-17)20(25)22-15-6-4-13(5-7-15)11-23-8-2-1-3-18(23)24/h1-10H,11-12H2,(H,22,25)
InChIKeyZZFORQJCTVRXAF-UHFFFAOYSA-N
MW382.80 g/mol
LogP3.53
Rot. Bonds4

About 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55767444) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55767444
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H15ClN2O4/c21-16-9-14(10-17-19(16)27-12-26-17)20(25)22-15-6-4-13(5-7-15)11-23-8-2-1-3-18(23)24/h1-10H,11-12H2,(H,22,25)
InChIKeyZZFORQJCTVRXAF-UHFFFAOYSA-N
XLogP3.53
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30780233
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 55716894
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881478
2-(cyclopropylamino)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyridine-4-carboxamide
CID 167805117
ethyl (E)-3-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27902598
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952
(4-benzylpiperazin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9402325
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
N-[3-(azepan-1-ylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide
CID 39755188
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
2-[(2-chlorophenyl)methoxy]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 60530434

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 55767444) is 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZZFORQJCTVRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-16-9-14(10-17-19(16)27-12-26-17)20(25)22-15-6-4-13(5-7-15)11-23-8-2-1-3-18(23)24/h1-10H,11-12H2,(H,22,25).
What are the key properties of 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 382.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55767444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).