3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide

C19H18ClN3O4 — CID 58654018

IUPAC3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide
SMILESCNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C19H18ClN3O4/c1-22-18(24)11-27-17-5-12(9-21)3-4-13(17)10-23-19(25)14-6-15(20)8-16(7-14)26-2/h3-8H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUTVVCONYUBHXFX-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.28
Rot. Bonds7

About 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide

3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide (PubChem CID 58654018) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide
PubChem CID58654018
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide
SMILESCNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C19H18ClN3O4/c1-22-18(24)11-27-17-5-12(9-21)3-4-13(17)10-23-19(25)14-6-15(20)8-16(7-14)26-2/h3-8H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUTVVCONYUBHXFX-UHFFFAOYSA-N
XLogP2.28
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamic acid
CID 154365722
5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide
CID 58654000
3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2,4-difluorobenzamide
CID 58653945
N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 58653999
N-[[4-carbamimidoyl-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethoxy]phenyl]methyl]-3-chloro-5-methoxybenzamide
CID 58653977
3-amino-N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-5-chloro-4-fluorobenzamide
CID 58654038
ethyl 2-[2-[[[3-[benzyl(methylsulfonyl)amino]-5-chlorobenzoyl]amino]methyl]-5-cyanophenoxy]acetate
CID 69342178
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
2-[[2-[5-carbamimidoyl-2-[[[3-chloro-5-(2-methoxyethoxy)benzoyl]amino]methyl]phenoxy]acetyl]amino]acetic acid
CID 58653987
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
CID 58653948
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide (CID 58654018) is 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide is CNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OC)c1.
What is the InChIKey of 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide?
The InChIKey is UTVVCONYUBHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-22-18(24)11-27-17-5-12(9-21)3-4-13(17)10-23-19(25)14-6-15(20)8-16(7-14)26-2/h3-8H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide?
3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide has a molecular weight of 387.82 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 58654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).