N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide

C20H19Cl2F2N3O5 — CID 118712216

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCN[C@@H]2CCOC2=O)c1
InChIInChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1
InChIKeyXZTGPNPNISFWHR-CQSZACIVSA-N
MW490.29 g/mol
LogP3.92
Rot. Bonds10

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide (PubChem CID 118712216) has the molecular formula C20H19Cl2F2N3O5 and a molecular weight of 490.29 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide
PubChem CID118712216
Molecular FormulaC20H19Cl2F2N3O5
Molecular Weight490.29 g/mol
Exact Mass489.07
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCN[C@@H]2CCOC2=O)c1
InChIInChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1
InChIKeyXZTGPNPNISFWHR-CQSZACIVSA-N
XLogP3.92
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
methyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylsulfanyl]benzoate
CID 71262634
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
3-[8-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-(difluoromethoxy)phenoxy]-4-oxooctyl]sulfanyloxolan-2-one
CID 159932243
2-hydroxyethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262433
ethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262642
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-(3,5-dichloro-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118476017
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
4-(cyclopropylmethoxy)-N-[3,5-dichloro-2-(3-diethoxyphosphorylpropoxy)-4-pyridinyl]-3-(difluoromethoxy)benzamide
CID 59809750
1-[2-[7-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]heptylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 175496956

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide (CID 118712216) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCN[C@@H]2CCOC2=O)c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide?
The InChIKey is XZTGPNPNISFWHR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide has a molecular weight of 490.29 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide is sourced from PubChem (CID 118712216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).