1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

C19H18ClNO4 — CID 119354683

IUPAC1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO4/c20-15-7-5-13(6-8-15)12-25-17-4-2-1-3-16(17)18(22)21-10-9-14(11-21)19(23)24/h1-8,14H,9-12H2,(H,23,24)
InChIKeyNJRHGGQZEIVASL-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354683) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354683
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO4/c20-15-7-5-13(6-8-15)12-25-17-4-2-1-3-16(17)18(22)21-10-9-14(11-21)19(23)24/h1-8,14H,9-12H2,(H,23,24)
InChIKeyNJRHGGQZEIVASL-UHFFFAOYSA-N
XLogP3.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125135028
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119355381
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (CID 119354683) is 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NJRHGGQZEIVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c20-15-7-5-13(6-8-15)12-25-17-4-2-1-3-16(17)18(22)21-10-9-14(11-21)19(23)24/h1-8,14H,9-12H2,(H,23,24).
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 359.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).