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

C19H19ClN4O3 — CID 58654000

IUPAC5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide
SMILESCNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)ccc1NC
InChIInChI=1S/C19H19ClN4O3/c1-22-16-6-5-14(20)8-15(16)19(26)24-10-13-4-3-12(9-21)7-17(13)27-11-18(25)23-2/h3-8,22H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCXBQQPLXABXHGK-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.31
Rot. Bonds7

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

5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide (PubChem CID 58654000) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide
PubChem CID58654000
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide
SMILESCNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)ccc1NC
InChIInChI=1S/C19H19ClN4O3/c1-22-16-6-5-14(20)8-15(16)19(26)24-10-13-4-3-12(9-21)7-17(13)27-11-18(25)23-2/h3-8,22H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCXBQQPLXABXHGK-UHFFFAOYSA-N
XLogP2.31
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2,4-difluorobenzamide
CID 58653945
[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamic acid
CID 154365722
3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide
CID 58654018
N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 58653999
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
CID 58653948
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
CID 106049975

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide (CID 58654000) is 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide is CNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)ccc1NC.
What is the InChIKey of 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide?
The InChIKey is CXBQQPLXABXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-22-16-6-5-14(20)8-15(16)19(26)24-10-13-4-3-12(9-21)7-17(13)27-11-18(25)23-2/h3-8,22H,10-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide?
5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide has a molecular weight of 386.84 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 58654000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).