3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C15H21ClN2O — CID 11300496

IUPAC3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyCMNJEKBHBKVRME-AWEZNQCLSA-N
MW280.80 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11300496) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11300496
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyCMNJEKBHBKVRME-AWEZNQCLSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11300496) is 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is CMNJEKBHBKVRME-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11300496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).