5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H18BrClN2O — CID 106609221

IUPAC5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-2-18(9-11-4-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyDRBJFHHPDJSKIB-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.32
Rot. Bonds4

About 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609221) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609221
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-2-18(9-11-4-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyDRBJFHHPDJSKIB-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609221) is 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is DRBJFHHPDJSKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-18(9-11-4-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).