1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

C18H24FN3O3 — CID 56804963

IUPAC1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C18H24FN3O3/c1-4-21(5-2)18(25)16-7-6-10-22(16)17(24)13-8-9-14(19)15(11-13)20-12(3)23/h8-9,11,16H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyMNBGWKAMXGTONH-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.26
Rot. Bonds5

About 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56804963) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56804963
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C18H24FN3O3/c1-4-21(5-2)18(25)16-7-6-10-22(16)17(24)13-8-9-14(19)15(11-13)20-12(3)23/h8-9,11,16H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyMNBGWKAMXGTONH-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305873
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276
3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-fluorobenzoic acid
CID 129414607
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119166168
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
CID 47070444
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-fluorobenzoic acid
CID 61207097
3-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-5-nitrobenzoic acid
CID 119182636

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 56804963) is 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1C(=O)c1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is MNBGWKAMXGTONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-4-21(5-2)18(25)16-7-6-10-22(16)17(24)13-8-9-14(19)15(11-13)20-12(3)23/h8-9,11,16H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56804963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).