N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide

C12H14BrClN2O — CID 81270551

IUPACN-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O/c13-10-4-3-8(14)6-11(10)16-12(17)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyNFCWWQSHXZNTEP-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide

N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 81270551) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID81270551
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O/c13-10-4-3-8(14)6-11(10)16-12(17)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyNFCWWQSHXZNTEP-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 114209112
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-(4-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119808246
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119770135
N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365224
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
N-(3-bromo-4-iodophenyl)-2-pyrrolidin-2-ylacetamide
CID 113266600
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide (CID 81270551) is N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is NFCWWQSHXZNTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-10-4-3-8(14)6-11(10)16-12(17)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 317.61 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 81270551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).