4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide

C11H16ClN3O — CID 104971798

IUPAC4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H16ClN3O/c12-8-6-10(15-7-8)11(16)14-5-3-9-2-1-4-13-9/h6-7,9,13,15H,1-5H2,(H,14,16)/t9-/m1/s1
InChIKeyFBDKWSKJGMFIMW-SECBINFHSA-N
MW241.72 g/mol
LogP1.54
Rot. Bonds4

About 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 104971798) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID104971798
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H16ClN3O/c12-8-6-10(15-7-8)11(16)14-5-3-9-2-1-4-13-9/h6-7,9,13,15H,1-5H2,(H,14,16)/t9-/m1/s1
InChIKeyFBDKWSKJGMFIMW-SECBINFHSA-N
XLogP1.54
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
3-chloro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971787
2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
CID 104972179
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47342565
5-chloro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 104971798) is 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCC[C@H]1CCCN1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FBDKWSKJGMFIMW-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-8-6-10(15-7-8)11(16)14-5-3-9-2-1-4-13-9/h6-7,9,13,15H,1-5H2,(H,14,16)/t9-/m1/s1.
What are the key properties of 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104971798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).