N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide

C18H15ClFNO2 — CID 18200369

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15ClFNO2/c1-21(10-14-15(19)6-4-7-16(14)20)18(22)13-9-12-5-2-3-8-17(12)23-11-13/h2-9H,10-11H2,1H3
InChIKeyMGAQPBKKUQNFQD-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.91
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide (PubChem CID 18200369) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
PubChem CID18200369
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15ClFNO2/c1-21(10-14-15(19)6-4-7-16(14)20)18(22)13-9-12-5-2-3-8-17(12)23-11-13/h2-9H,10-11H2,1H3
InChIKeyMGAQPBKKUQNFQD-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide (CID 18200369) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is MGAQPBKKUQNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-21(10-14-15(19)6-4-7-16(14)20)18(22)13-9-12-5-2-3-8-17(12)23-11-13/h2-9H,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 331.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 18200369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).