2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide

C15H19Cl2N3O2 — CID 119553991

IUPAC2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C1CCNC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(15(22)20(2)10-6-7-18-8-10)19-14(21)11-4-3-5-12(16)13(11)17/h3-5,9-10,18H,6-8H2,1-2H3,(H,19,21)
InChIKeyKALVPBWDLDHSOH-UHFFFAOYSA-N
MW344.24 g/mol
LogP1.93
Rot. Bonds4

About 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 119553991) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID119553991
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C1CCNC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(15(22)20(2)10-6-7-18-8-10)19-14(21)11-4-3-5-12(16)13(11)17/h3-5,9-10,18H,6-8H2,1-2H3,(H,19,21)
InChIKeyKALVPBWDLDHSOH-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119228702
N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120947349
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
N-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11588392
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119552464
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide (CID 119553991) is 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C1CCNC1.
What is the InChIKey of 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KALVPBWDLDHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(15(22)20(2)10-6-7-18-8-10)19-14(21)11-4-3-5-12(16)13(11)17/h3-5,9-10,18H,6-8H2,1-2H3,(H,19,21).
What are the key properties of 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 344.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119553991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).