3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide

C15H11ClN2O2 — CID 30874096

IUPAC3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-3-1-2-11(10-12)15(19)18-13-4-6-14(7-5-13)20-9-8-17/h1-7,10H,9H2,(H,18,19)
InChIKeyWXRIXRZJARUAPD-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.49
Rot. Bonds4

About 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide

3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide (PubChem CID 30874096) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
PubChem CID30874096
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-3-1-2-11(10-12)15(19)18-13-4-6-14(7-5-13)20-9-8-17/h1-7,10H,9H2,(H,18,19)
InChIKeyWXRIXRZJARUAPD-UHFFFAOYSA-N
XLogP3.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide (CID 30874096) is 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide is N#CCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The InChIKey is WXRIXRZJARUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-3-1-2-11(10-12)15(19)18-13-4-6-14(7-5-13)20-9-8-17/h1-7,10H,9H2,(H,18,19).
What are the key properties of 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide has a molecular weight of 286.72 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 30874096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).