3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide

C16H13BrCl2F2N2O3 — CID 140646532

IUPAC3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESCCC(Br)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C16H13BrCl2F2N2O3/c1-2-13(17)25-12-5-8(3-4-11(12)26-16(20)21)15(24)23-14-9(18)6-22-7-10(14)19/h3-7,13,16H,2H2,1H3,(H,22,23,24)
InChIKeyGMYSPSFKCGMEDZ-UHFFFAOYSA-N
MW470.10 g/mol
LogP5.75
Rot. Bonds7

About 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide

3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide (PubChem CID 140646532) has the molecular formula C16H13BrCl2F2N2O3 and a molecular weight of 470.10 g/mol. Its IUPAC name is 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
PubChem CID140646532
Molecular FormulaC16H13BrCl2F2N2O3
Molecular Weight470.10 g/mol
Exact Mass467.95
IUPAC Name3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESCCC(Br)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C16H13BrCl2F2N2O3/c1-2-13(17)25-12-5-8(3-4-11(12)26-16(20)21)15(24)23-14-9(18)6-22-7-10(14)19/h3-7,13,16H,2H2,1H3,(H,22,23,24)
InChIKeyGMYSPSFKCGMEDZ-UHFFFAOYSA-N
XLogP5.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.10
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
ethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262642
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
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-pentan-3-yloxybenzamide
CID 21187925
2-hydroxyethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262433
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-[[(3R)-2-oxooxolan-3-yl]amino]propoxy]benzamide
CID 118712216
N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one
CID 142950035
(2S)-N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-2-ethyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 141476015
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 42993173
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide (CID 140646532) is 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide is CCC(Br)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F.
What is the InChIKey of 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
The InChIKey is GMYSPSFKCGMEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2F2N2O3/c1-2-13(17)25-12-5-8(3-4-11(12)26-16(20)21)15(24)23-14-9(18)6-22-7-10(14)19/h3-7,13,16H,2H2,1H3,(H,22,23,24).
What are the key properties of 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide?
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide has a molecular weight of 470.10 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 140646532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).