4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide

C12H15ClN2O3 — CID 18283094

IUPAC4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
SMILESCON(C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-15(18-2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyXHBISEZPFKSNMS-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.48
Rot. Bonds5

About 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide (PubChem CID 18283094) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
PubChem CID18283094
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
SMILESCON(C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-15(18-2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyXHBISEZPFKSNMS-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide
CID 167896529
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
CID 134058645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide (CID 18283094) is 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide is CON(C)C(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide?
The InChIKey is XHBISEZPFKSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-15(18-2)11(16)7-8-14-12(17)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18283094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).