N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide

C14H9ClFNO3 — CID 110699491

IUPACN-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCO2
InChIInChI=1S/C14H9ClFNO3/c15-10-6-8(4-5-11(10)16)17-14(18)9-2-1-3-12-13(9)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyBYEAXGHACBMZFY-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.46
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide (PubChem CID 110699491) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide
PubChem CID110699491
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCO2
InChIInChI=1S/C14H9ClFNO3/c15-10-6-8(4-5-11(10)16)17-14(18)9-2-1-3-12-13(9)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyBYEAXGHACBMZFY-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348459
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 4785291
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide (CID 110699491) is N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCO2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is BYEAXGHACBMZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-10-6-8(4-5-11(10)16)17-14(18)9-2-1-3-12-13(9)20-7-19-12/h1-6H,7H2,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 293.68 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 110699491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).