4-[(4-chloro-2-pyridinyl)methoxy]benzamide

C13H11ClN2O2 — CID 79255855

IUPAC4-[(4-chloro-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-10-5-6-16-11(7-10)8-18-12-3-1-9(2-4-12)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeyMQBHAMFNIQYYRK-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.41
Rot. Bonds4

About 4-[(4-chloro-2-pyridinyl)methoxy]benzamide

4-[(4-chloro-2-pyridinyl)methoxy]benzamide (PubChem CID 79255855) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methoxy]benzamide
PubChem CID79255855
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-[(4-chloro-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-10-5-6-16-11(7-10)8-18-12-3-1-9(2-4-12)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeyMQBHAMFNIQYYRK-UHFFFAOYSA-N
XLogP2.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655
5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487502
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
CID 168853496
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
CID 55127310
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
(4-chloro-2-pyridinyl)methanamine
CID 22727148
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]benzamide?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]benzamide (CID 79255855) is 4-[(4-chloro-2-pyridinyl)methoxy]benzamide.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methoxy]benzamide?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methoxy]benzamide is NC(=O)c1ccc(OCc2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methoxy]benzamide?
The InChIKey is MQBHAMFNIQYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-5-6-16-11(7-10)8-18-12-3-1-9(2-4-12)13(15)17/h1-7H,8H2,(H2,15,17).
What are the key properties of 4-[(4-chloro-2-pyridinyl)methoxy]benzamide?
4-[(4-chloro-2-pyridinyl)methoxy]benzamide has a molecular weight of 262.70 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 79255855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).