N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide

C16H14Cl2F2N2O3 — CID 21187906

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C16H14Cl2F2N2O3/c1-8(2)24-13-5-9(3-4-12(13)25-16(19)20)15(23)22-14-10(17)6-21-7-11(14)18/h3-8,16H,1-2H3,(H,21,22,23)
InChIKeyLYJNSJWKDIKOOT-UHFFFAOYSA-N
MW391.20 g/mol
LogP5.03
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide (PubChem CID 21187906) has the molecular formula C16H14Cl2F2N2O3 and a molecular weight of 391.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide
PubChem CID21187906
Molecular FormulaC16H14Cl2F2N2O3
Molecular Weight391.20 g/mol
Exact Mass390.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C16H14Cl2F2N2O3/c1-8(2)24-13-5-9(3-4-12(13)25-16(19)20)15(23)22-14-10(17)6-21-7-11(14)18/h3-8,16H,1-2H3,(H,21,22,23)
InChIKeyLYJNSJWKDIKOOT-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.20
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roflumilast
CID 449193
Piclamilast
CID 154575
3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-4-ylpiperidin-4-YL)methyl]benzamide
CID 6420136
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 11466687
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052325
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052339
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(propan-2-yloxy)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052392
3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396258
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine
CID 11329232
3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 44292198
[2-(3,5-Dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethyl] 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
CID 162675489
N-(2-chloropyridin-3-yl)-3,4-dimethoxybenzamide
CID 836058

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide (CID 21187906) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide is CC(C)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide?
The InChIKey is LYJNSJWKDIKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O3/c1-8(2)24-13-5-9(3-4-12(13)25-16(19)20)15(23)22-14-10(17)6-21-7-11(14)18/h3-8,16H,1-2H3,(H,21,22,23).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide has a molecular weight of 391.20 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 21187906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).