N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide

C25H22Cl2F2N2O2 — CID 137473291

IUPACN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32)
InChIKeyOMXKTZBLYTUVML-UHFFFAOYSA-N
MW491.37 g/mol
LogP6.82
Rot. Bonds6

About N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide

N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 137473291) has the molecular formula C25H22Cl2F2N2O2 and a molecular weight of 491.37 g/mol. Its IUPAC name is N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID137473291
Molecular FormulaC25H22Cl2F2N2O2
Molecular Weight491.37 g/mol
Exact Mass490.10
IUPAC NameN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32)
InChIKeyOMXKTZBLYTUVML-UHFFFAOYSA-N
XLogP6.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide
CID 170089296
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
CID 21352718
N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526655
2-chloro-5-(oxan-4-ylmethoxy)benzoic acid
CID 106500528
3-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-(methylaminomethyl)benzaldehyde
CID 137382831

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide (CID 137473291) is N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide is O=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is OMXKTZBLYTUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32).
What are the key properties of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 491.37 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 137473291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).