N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide

C19H16ClNO4 — CID 51257741

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H16ClNO4/c1-21(9-12-2-4-17-18(6-12)25-11-24-17)19(22)14-7-13-8-15(20)3-5-16(13)23-10-14/h2-8H,9-11H2,1H3
InChIKeyDXWGHWAZFYUUGW-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.50
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide (PubChem CID 51257741) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
PubChem CID51257741
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H16ClNO4/c1-21(9-12-2-4-17-18(6-12)25-11-24-17)19(22)14-7-13-8-15(20)3-5-16(13)23-10-14/h2-8H,9-11H2,1H3
InChIKeyDXWGHWAZFYUUGW-UHFFFAOYSA-N
XLogP3.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2H-chromene-3-carboxamide
CID 154750928
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
CID 86911414
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
1-[2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235976

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide (CID 51257741) is N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is DXWGHWAZFYUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-21(9-12-2-4-17-18(6-12)25-11-24-17)19(22)14-7-13-8-15(20)3-5-16(13)23-10-14/h2-8H,9-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 357.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 51257741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).