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

C12H15ClN2O — CID 107098265

IUPAC3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C12H15ClN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyHWCRAQQRIDBYMO-VIFPVBQESA-N
MW238.72 g/mol
LogP1.74
Rot. Bonds2

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

3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 107098265) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID107098265
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C12H15ClN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyHWCRAQQRIDBYMO-VIFPVBQESA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 107098265) is 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide is Cc1c(Cl)cccc1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is HWCRAQQRIDBYMO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-10(3-2-4-11(8)13)12(16)15-9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 238.72 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 107098265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).