N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide

C16H13ClFNO2 — CID 139340236

IUPACN-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H13ClFNO2/c17-13-9-11(6-7-14(13)18)19-16(20)12-5-1-3-10-4-2-8-21-15(10)12/h1,3,5-7,9H,2,4,8H2,(H,19,20)
InChIKeyOPIUIYAWCOHSOY-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.06
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide

N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 139340236) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID139340236
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H13ClFNO2/c17-13-9-11(6-7-14(13)18)19-16(20)12-5-1-3-10-4-2-8-21-15(10)12/h1,3,5-7,9H,2,4,8H2,(H,19,20)
InChIKeyOPIUIYAWCOHSOY-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide (CID 139340236) is N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCCC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is OPIUIYAWCOHSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-13-9-11(6-7-14(13)18)19-16(20)12-5-1-3-10-4-2-8-21-15(10)12/h1,3,5-7,9H,2,4,8H2,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide?
N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 305.74 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 139340236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).