N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide

C20H17ClN2O2 — CID 55772208

IUPACN-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H17ClN2O2/c21-19-9-2-1-6-17(19)13-23-20(24)16-7-3-8-18(11-16)25-14-15-5-4-10-22-12-15/h1-12H,13-14H2,(H,23,24)
InChIKeyIRGVDLRSXMPOER-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.24
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55772208) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55772208
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H17ClN2O2/c21-19-9-2-1-6-17(19)13-23-20(24)16-7-3-8-18(11-16)25-14-15-5-4-10-22-12-15/h1-12H,13-14H2,(H,23,24)
InChIKeyIRGVDLRSXMPOER-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55772208) is N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide is O=C(NCc1ccccc1Cl)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is IRGVDLRSXMPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-19-9-2-1-6-17(19)13-23-20(24)16-7-3-8-18(11-16)25-14-15-5-4-10-22-12-15/h1-12H,13-14H2,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55772208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).