2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide

C16H17ClN2O4 — CID 164638215

IUPAC2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCN1C(=O)C[C@H](NC(=O)c2c(Cl)cccc2OCC2CC2)C1=O
InChIInChI=1S/C16H17ClN2O4/c1-19-13(20)7-11(16(19)22)18-15(21)14-10(17)3-2-4-12(14)23-8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyWCMYFHKOASHIOK-NSHDSACASA-N
MW336.78 g/mol
LogP1.62
Rot. Bonds5

About 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide

2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 164638215) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide
PubChem CID164638215
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCN1C(=O)C[C@H](NC(=O)c2c(Cl)cccc2OCC2CC2)C1=O
InChIInChI=1S/C16H17ClN2O4/c1-19-13(20)7-11(16(19)22)18-15(21)14-10(17)3-2-4-12(14)23-8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyWCMYFHKOASHIOK-NSHDSACASA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(cyclopropylmethoxy)-N-(4-methyl-6-oxo-1H-pyridin-2-yl)benzamide
CID 154785592
2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
CID 62495370
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054
2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide
CID 166280135
3-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 154865863
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79330927
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615124
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039160
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide
CID 154772535
5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
CID 146144778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide (CID 164638215) is 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide is CN1C(=O)C[C@H](NC(=O)c2c(Cl)cccc2OCC2CC2)C1=O.
What is the InChIKey of 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide?
The InChIKey is WCMYFHKOASHIOK-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-19-13(20)7-11(16(19)22)18-15(21)14-10(17)3-2-4-12(14)23-8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide?
2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 336.78 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 164638215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).