1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide

C14H17N3O3 — CID 110473581

IUPAC1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H17N3O3/c1-9(18)16-11-6-4-10(5-7-11)14(20)17-8-2-3-12(17)13(15)19/h4-7,12H,2-3,8H2,1H3,(H2,15,19)(H,16,18)
InChIKeyCAHLUSCKEQVQGV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds3

About 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide

1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 110473581) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
PubChem CID110473581
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H17N3O3/c1-9(18)16-11-6-4-10(5-7-11)14(20)17-8-2-3-12(17)13(15)19/h4-7,12H,2-3,8H2,1H3,(H2,15,19)(H,16,18)
InChIKeyCAHLUSCKEQVQGV-UHFFFAOYSA-N
XLogP0.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43120481
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide (CID 110473581) is 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide is CC(=O)Nc1ccc(C(=O)N2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is CAHLUSCKEQVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(18)16-11-6-4-10(5-7-11)14(20)17-8-2-3-12(17)13(15)19/h4-7,12H,2-3,8H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide?
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110473581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).