N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide

C17H14Cl2N2O2 — CID 124593537

IUPACN-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-23-10-11-5-2-3-6-12(11)17(22)21-15(9-20)13-7-4-8-14(18)16(13)19/h2-8,15H,10H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyIVASUFANOCCEKG-HNNXBMFYSA-N
MW349.22 g/mol
LogP4.13
Rot. Bonds5

About N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide

N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide (PubChem CID 124593537) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
PubChem CID124593537
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-23-10-11-5-2-3-6-12(11)17(22)21-15(9-20)13-7-4-8-14(18)16(13)19/h2-8,15H,10H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyIVASUFANOCCEKG-HNNXBMFYSA-N
XLogP4.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyano-(2,3-dichlorophenyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 124593522
3-chloro-N-[cyano-(2-methoxyphenyl)methyl]-2-nitrobenzamide
CID 75514742
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-(2,3-dichlorophenyl)-2-(3-methoxypropylamino)acetonitrile
CID 112500817
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 97245984
N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide
CID 56784314
N-[cyano-(2,3-dichlorophenyl)methyl]hexa-2,4-dienamide
CID 72689361
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide (CID 124593537) is N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide?
The InChIKey is IVASUFANOCCEKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-23-10-11-5-2-3-6-12(11)17(22)21-15(9-20)13-7-4-8-14(18)16(13)19/h2-8,15H,10H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide?
N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide has a molecular weight of 349.22 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 124593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).