N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide

C19H20ClN3O3 — CID 131890366

IUPACN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-26-12-19(25)22-17-7-6-15(8-16(17)20)21-18(24)11-23-9-13-4-2-3-5-14(13)10-23/h2-8H,9-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFSARVUUNPBVDPO-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.88
Rot. Bonds6

About N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide

N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 131890366) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID131890366
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-26-12-19(25)22-17-7-6-15(8-16(17)20)21-18(24)11-23-9-13-4-2-3-5-14(13)10-23/h2-8H,9-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFSARVUUNPBVDPO-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 131932476
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131933694
2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
CID 53347149
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 124988688
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131895084

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide (CID 131890366) is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide is COCC(=O)Nc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is FSARVUUNPBVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-26-12-19(25)22-17-7-6-15(8-16(17)20)21-18(24)11-23-9-13-4-2-3-5-14(13)10-23/h2-8H,9-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide?
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 373.84 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 131890366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).