(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide

C12H12BrClN2O2 — CID 93418929

IUPAC(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2O2/c13-7-3-4-9(14)8(6-7)12(18)16-5-1-2-10(16)11(15)17/h3-4,6,10H,1-2,5H2,(H2,15,17)/t10-/m1/s1
InChIKeyGORIYAKFDLQRMF-SNVBAGLBSA-N
MW331.60 g/mol
LogP2.19
Rot. Bonds2

About (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide

(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 93418929) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID93418929
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2O2/c13-7-3-4-9(14)8(6-7)12(18)16-5-1-2-10(16)11(15)17/h3-4,6,10H,1-2,5H2,(H2,15,17)/t10-/m1/s1
InChIKeyGORIYAKFDLQRMF-SNVBAGLBSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 9081155
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
(2S)-1-(4-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 66263977
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539008
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 102679300
1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106852545
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
1-(4-bromo-2-chlorobenzoyl)azepane-2-carboxylic acid
CID 64558775

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide (CID 93418929) is (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is GORIYAKFDLQRMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c13-7-3-4-9(14)8(6-7)12(18)16-5-1-2-10(16)11(15)17/h3-4,6,10H,1-2,5H2,(H2,15,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide?
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 331.60 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93418929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).