2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C18H19ClN2O3 — CID 46415948

IUPAC2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1ccc(CNC(=O)CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-12-14-8-6-13(7-9-14)10-20-17(22)11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVPXIVBOLQSNOQS-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.53
Rot. Bonds7

About 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide

2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 46415948) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID46415948
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1ccc(CNC(=O)CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-12-14-8-6-13(7-9-14)10-20-17(22)11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVPXIVBOLQSNOQS-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-chloro-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 8545264
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
2-chloro-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 35159240
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 46415948) is 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide is COCc1ccc(CNC(=O)CNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is VPXIVBOLQSNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-12-14-8-6-13(7-9-14)10-20-17(22)11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46415948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).