3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide

C11H10Cl2N2O2 — CID 131860579

IUPAC3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide
SMILESCCOC(C#N)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-10(6-14)15-11(16)7-3-4-8(12)9(13)5-7/h3-5,10H,2H2,1H3,(H,15,16)
InChIKeyQYSPKXXYWKXFGV-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.61
Rot. Bonds4

About 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide

3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide (PubChem CID 131860579) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide
PubChem CID131860579
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide
SMILESCCOC(C#N)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-10(6-14)15-11(16)7-3-4-8(12)9(13)5-7/h3-5,10H,2H2,1H3,(H,15,16)
InChIKeyQYSPKXXYWKXFGV-UHFFFAOYSA-N
XLogP2.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[cyano(ethoxy)methyl]-3,4-dimethoxybenzamide
CID 131860566
3,4-dichloro-N-(1-cyano-2-ethylperoxyethyl)benzamide
CID 156702235
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
CID 70798999
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
3,5-dichloro-N-[3-chloropropoxy(cyano)methyl]benzamide
CID 86031726
3-chloro-N-[cyano(2-fluoroethoxy)methyl]benzamide
CID 14181818

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide (CID 131860579) is 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide is CCOC(C#N)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide?
The InChIKey is QYSPKXXYWKXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-2-17-10(6-14)15-11(16)7-3-4-8(12)9(13)5-7/h3-5,10H,2H2,1H3,(H,15,16).
What are the key properties of 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide?
3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide has a molecular weight of 273.12 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[cyano(ethoxy)methyl]benzamide is sourced from PubChem (CID 131860579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).