4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

C18H17ClFNO3 — CID 72849484

IUPAC4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1cccc2c1OCC(CNC(=O)c1ccc(Cl)cc1F)C2
InChIInChI=1S/C18H17ClFNO3/c1-23-16-4-2-3-12-7-11(10-24-17(12)16)9-21-18(22)14-6-5-13(19)8-15(14)20/h2-6,8,11H,7,9-10H2,1H3,(H,21,22)
InChIKeyPCGFJEVVNNPPAS-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.47
Rot. Bonds4

About 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (PubChem CID 72849484) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
PubChem CID72849484
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1cccc2c1OCC(CNC(=O)c1ccc(Cl)cc1F)C2
InChIInChI=1S/C18H17ClFNO3/c1-23-16-4-2-3-12-7-11(10-24-17(12)16)9-21-18(22)14-6-5-13(19)8-15(14)20/h2-6,8,11H,7,9-10H2,1H3,(H,21,22)
InChIKeyPCGFJEVVNNPPAS-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 97208608
6-ethyl-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,5-dimethyl-2-oxopyridine-3-carboxamide
CID 97191297
6-ethyl-N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,5-dimethyl-2-oxopyridine-3-carboxamide
CID 97191298
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 97275977
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 97207845
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 97275063
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72868574
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (CID 72849484) is 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is COc1cccc2c1OCC(CNC(=O)c1ccc(Cl)cc1F)C2.
What is the InChIKey of 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The InChIKey is PCGFJEVVNNPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-23-16-4-2-3-12-7-11(10-24-17(12)16)9-21-18(22)14-6-5-13(19)8-15(14)20/h2-6,8,11H,7,9-10H2,1H3,(H,21,22).
What are the key properties of 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide has a molecular weight of 349.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is sourced from PubChem (CID 72849484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).