5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide

C12H16ClN3O2 — CID 62175200

IUPAC5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(Cl)ccc1NC
InChIInChI=1S/C12H16ClN3O2/c1-14-10-4-3-8(13)7-9(10)12(18)16-6-5-11(17)15-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyANCDQGPGAWPUHW-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.25
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide

5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 62175200) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID62175200
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(Cl)ccc1NC
InChIInChI=1S/C12H16ClN3O2/c1-14-10-4-3-8(13)7-9(10)12(18)16-6-5-11(17)15-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyANCDQGPGAWPUHW-UHFFFAOYSA-N
XLogP1.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79382058
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CID 70534274
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
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5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
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5-chloro-N-cyclopropyl-2-(methylamino)benzamide
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CID 62187110
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
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5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 62175200) is 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cc(Cl)ccc1NC.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is ANCDQGPGAWPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-10-4-3-8(13)7-9(10)12(18)16-6-5-11(17)15-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 62175200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).