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

C12H16ClN3O2 — CID 106913729

IUPAC5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyQDTINQZWWCPLTM-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.13
Rot. Bonds4

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

5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913729) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913729
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyQDTINQZWWCPLTM-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(methylamino)-3-oxopropyl] 5-amino-2-chlorobenzoate
CID 62326124
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113268050
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106913729) is 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is QDTINQZWWCPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).