N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide

C20H21ClF2N2O3 — CID 55754662

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC(F)F
InChIInChI=1S/C20H21ClF2N2O3/c1-27-17-8-5-13(11-18(17)28-20(22)23)19(26)24-15-12-14(21)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,24,26)
InChIKeyWZBYPYWHLDWDJX-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.19
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55754662) has the molecular formula C20H21ClF2N2O3 and a molecular weight of 410.85 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55754662
Molecular FormulaC20H21ClF2N2O3
Molecular Weight410.85 g/mol
Exact Mass410.12
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC(F)F
InChIInChI=1S/C20H21ClF2N2O3/c1-27-17-8-5-13(11-18(17)28-20(22)23)19(26)24-15-12-14(21)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,24,26)
InChIKeyWZBYPYWHLDWDJX-UHFFFAOYSA-N
XLogP5.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 35355595
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55758386
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597489
N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55915712
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 55754662) is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC(F)F.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is WZBYPYWHLDWDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O3/c1-27-17-8-5-13(11-18(17)28-20(22)23)19(26)24-15-12-14(21)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,24,26).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 410.85 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55754662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).