2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H21ClN2O — CID 106609343

IUPAC2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C15H21ClN2O/c1-3-18(10-12-7-5-9-17-12)15(19)13-8-4-6-11(2)14(13)16/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3
InChIKeyFIYCMUYETHOHAE-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609343) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609343
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C15H21ClN2O/c1-3-18(10-12-7-5-9-17-12)15(19)13-8-4-6-11(2)14(13)16/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3
InChIKeyFIYCMUYETHOHAE-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
N-ethyl-2-(3-methyl-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 107148587
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609343) is 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is FIYCMUYETHOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-18(10-12-7-5-9-17-12)15(19)13-8-4-6-11(2)14(13)16/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).