3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide

C18H16Cl2F2N2O3 — CID 21187878

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C18H16Cl2F2N2O3/c19-12-8-23-9-13(20)16(12)24-17(25)10-5-6-14(27-18(21)22)15(7-10)26-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,23,24,25)
InChIKeyCXORGSNJRFZYCQ-UHFFFAOYSA-N
MW417.24 g/mol
LogP5.56
Rot. Bonds6

About 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide (PubChem CID 21187878) has the molecular formula C18H16Cl2F2N2O3 and a molecular weight of 417.24 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
PubChem CID21187878
Molecular FormulaC18H16Cl2F2N2O3
Molecular Weight417.24 g/mol
Exact Mass416.05
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C18H16Cl2F2N2O3/c19-12-8-23-9-13(20)16(12)24-17(25)10-5-6-14(27-18(21)22)15(7-10)26-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,23,24,25)
InChIKeyCXORGSNJRFZYCQ-UHFFFAOYSA-N
XLogP5.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.24
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide
CID 118712216
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
CID 15941684
ethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262642
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
CID 15941415
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
2-hydroxyethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262433
methyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylsulfanyl]benzoate
CID 71262634
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide
CID 91392875
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
CID 11744168

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide (CID 21187878) is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The InChIKey is CXORGSNJRFZYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O3/c19-12-8-23-9-13(20)16(12)24-17(25)10-5-6-14(27-18(21)22)15(7-10)26-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,23,24,25).
What are the key properties of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide has a molecular weight of 417.24 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 21187878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).