N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H17ClN2O4 — CID 175143603

IUPACN-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1cccc(C(CCl)NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-26-13-6-4-5-12(9-13)16(10-20)21-17(23)11-22-18(24)14-7-2-3-8-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23)
InChIKeyRYWPKVNTAUQYTP-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.39
Rot. Bonds6

About N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 175143603) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID175143603
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1cccc(C(CCl)NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-26-13-6-4-5-12(9-13)16(10-20)21-17(23)11-22-18(24)14-7-2-3-8-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23)
InChIKeyRYWPKVNTAUQYTP-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
(1,3-dioxoisoindol-2-yl)methyl 3-benzamido-3-(3-methoxyphenyl)propanoate
CID 171980317
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylsulfanylbutanoate
CID 10337936
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951292

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 175143603) is N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is COc1cccc(C(CCl)NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RYWPKVNTAUQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-26-13-6-4-5-12(9-13)16(10-20)21-17(23)11-22-18(24)14-7-2-3-8-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 175143603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).