2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

C13H18ClN3O2 — CID 79196615

IUPAC2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(7-15-2)12(18)17-9-4-5-11(14)10(6-9)13(19)16-3/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFZTNCJLGXHTXRK-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.49
Rot. Bonds5

About 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (PubChem CID 79196615) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
PubChem CID79196615
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(7-15-2)12(18)17-9-4-5-11(14)10(6-9)13(19)16-3/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFZTNCJLGXHTXRK-UHFFFAOYSA-N
XLogP1.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
2-chloro-N-methyl-5-[[(2S)-4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]benzamide
CID 52510426
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (CID 79196615) is 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is CNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The InChIKey is FZTNCJLGXHTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(7-15-2)12(18)17-9-4-5-11(14)10(6-9)13(19)16-3/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is sourced from PubChem (CID 79196615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).