4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide

C16H21ClN2O3 — CID 109479043

IUPAC4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(CCO)NC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C16H21ClN2O3/c1-2-12(7-9-20)18-16(22)13-6-5-11(17)10-14(13)19-8-3-4-15(19)21/h5-6,10,12,20H,2-4,7-9H2,1H3,(H,18,22)
InChIKeyFKYGUEQEVJRXPO-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.36
Rot. Bonds6

About 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 109479043) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID109479043
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(CCO)NC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C16H21ClN2O3/c1-2-12(7-9-20)18-16(22)13-6-5-11(17)10-14(13)19-8-3-4-15(19)21/h5-6,10,12,20H,2-4,7-9H2,1H3,(H,18,22)
InChIKeyFKYGUEQEVJRXPO-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091448
1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-pentylthiourea
CID 9093295
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 55584627
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9291780
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9086885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 109479043) is 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is CCC(CCO)NC(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FKYGUEQEVJRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-12(7-9-20)18-16(22)13-6-5-11(17)10-14(13)19-8-3-4-15(19)21/h5-6,10,12,20H,2-4,7-9H2,1H3,(H,18,22).
What are the key properties of 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 324.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 109479043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).