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

C18H17ClN2O3 — CID 2540178

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-9-6-13(11-15(16)19)20-18(23)12-4-7-14(8-5-12)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeySDUBYFXEELDTCW-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.73
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 2540178) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID2540178
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-9-6-13(11-15(16)19)20-18(23)12-4-7-14(8-5-12)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeySDUBYFXEELDTCW-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 2540178) is N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SDUBYFXEELDTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-16-9-6-13(11-15(16)19)20-18(23)12-4-7-14(8-5-12)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 344.80 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 2540178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).