2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C15H20Cl2N2O — CID 11336016

IUPAC2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyIDJLHSSQHKZAPT-LBPRGKRZSA-N
MW315.24 g/mol
LogP3.45
Rot. Bonds4

About 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11336016) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11336016
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyIDJLHSSQHKZAPT-LBPRGKRZSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
CID 11450731
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
CID 11347993
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11336016) is 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is IDJLHSSQHKZAPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 315.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11336016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).