4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide

C16H19F3N2O3 — CID 71926356

IUPAC4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-24-13-5-4-11(15(23)21-8-2-3-9-21)10-12(13)20-14(22)6-7-16(17,18)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,22)
InChIKeyOELRJTVUWWGQHC-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.21
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide

4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 71926356) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID71926356
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-24-13-5-4-11(15(23)21-8-2-3-9-21)10-12(13)20-14(22)6-7-16(17,18)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,22)
InChIKeyOELRJTVUWWGQHC-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 71926356) is 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is OELRJTVUWWGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-24-13-5-4-11(15(23)21-8-2-3-9-21)10-12(13)20-14(22)6-7-16(17,18)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,22).
What are the key properties of 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide?
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 344.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 71926356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).