5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide

C15H19ClN2O3 — CID 97221382

IUPAC5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H19ClN2O3/c1-2-7-21-13-5-3-10(16)8-12(13)15(20)17-9-11-4-6-14(19)18-11/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyBXFGWYBTFAHVSQ-NSHDSACASA-N
MW310.78 g/mol
LogP2.14
Rot. Bonds6

About 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide

5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide (PubChem CID 97221382) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide
PubChem CID97221382
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H19ClN2O3/c1-2-7-21-13-5-3-10(16)8-12(13)15(20)17-9-11-4-6-14(19)18-11/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyBXFGWYBTFAHVSQ-NSHDSACASA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
3-(2,4-dichlorophenoxy)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]propanamide
CID 167928916
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
5-chloro-2-propoxybenzoyl chloride
CID 12863236
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide?
The IUPAC name of 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide (CID 97221382) is 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide?
The canonical SMILES for 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide is CCCOc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC(=O)N1.
What is the InChIKey of 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide?
The InChIKey is BXFGWYBTFAHVSQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-7-21-13-5-3-10(16)8-12(13)15(20)17-9-11-4-6-14(19)18-11/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide?
5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide has a molecular weight of 310.78 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide is sourced from PubChem (CID 97221382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).