5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C16H24ClN3O — CID 63274968

IUPAC5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H24ClN3O/c1-4-18-15-6-5-13(17)9-14(15)16(21)20(3)11-12-7-8-19(2)10-12/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyYHIXAIOENNTJDI-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 63274968) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID63274968
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H24ClN3O/c1-4-18-15-6-5-13(17)9-14(15)16(21)20(3)11-12-7-8-19(2)10-12/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyYHIXAIOENNTJDI-UHFFFAOYSA-N
XLogP2.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
4-(ethylamino)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81235486
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 63275138
5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180211
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 63274968) is 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CCNc1ccc(Cl)cc1C(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is YHIXAIOENNTJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-18-15-6-5-13(17)9-14(15)16(21)20(3)11-12-7-8-19(2)10-12/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 63274968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).