3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C14H18Cl2N2O — CID 45487726

IUPAC3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1C)[C@@H]1CCNC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-6-7-17-8-10)14(19)11-4-5-12(15)13(16)9(11)2/h4-5,10,17H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyXQHYQPRYOHIDGH-SNVBAGLBSA-N
MW301.22 g/mol
LogP3.13
Rot. Bonds3

About 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 45487726) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID45487726
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1C)[C@@H]1CCNC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-6-7-17-8-10)14(19)11-4-5-12(15)13(16)9(11)2/h4-5,10,17H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyXQHYQPRYOHIDGH-SNVBAGLBSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

PF-184298
CID 11392888
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
3,4-dichloro-N-propylbenzamide
CID 346715
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-
CID 183470
(S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11174494
(S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11300496
(R)-3,4-dichloro-N-isopropyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11301501
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11544186
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 45487726) is 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is CCN(C(=O)c1ccc(Cl)c(Cl)c1C)[C@@H]1CCNC1.
What is the InChIKey of 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is XQHYQPRYOHIDGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-3-18(10-6-7-17-8-10)14(19)11-4-5-12(15)13(16)9(11)2/h4-5,10,17H,3,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 301.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-ethyl-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45487726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).