2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

C31H34Cl2N4O3 — CID 118710234

IUPAC2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESCN(C(=O)CN(CC(=O)NC[C@H]1CCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C31H34Cl2N4O3/c1-36(26-15-21-5-2-3-6-22(21)16-26)31(39)20-37(19-30(38)35-18-25-7-4-14-34-25)28-17-24(33)10-13-29(28)40-27-11-8-23(32)9-12-27/h2-3,5-6,8-13,17,25-26,34H,4,7,14-16,18-20H2,1H3,(H,35,38)/t25-/m1/s1
InChIKeyZVAPSFHTGAGEON-RUZDIDTESA-N
MW581.54 g/mol
LogP5.09
Rot. Bonds10

About 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 118710234) has the molecular formula C31H34Cl2N4O3 and a molecular weight of 581.54 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID118710234
Molecular FormulaC31H34Cl2N4O3
Molecular Weight581.54 g/mol
Exact Mass580.20
IUPAC Name2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESCN(C(=O)CN(CC(=O)NC[C@H]1CCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C31H34Cl2N4O3/c1-36(26-15-21-5-2-3-6-22(21)16-26)31(39)20-37(19-30(38)35-18-25-7-4-14-34-25)28-17-24(33)10-13-29(28)40-27-11-8-23(32)9-12-27/h2-3,5-6,8-13,17,25-26,34H,4,7,14-16,18-20H2,1H3,(H,35,38)/t25-/m1/s1
InChIKeyZVAPSFHTGAGEON-RUZDIDTESA-N
XLogP5.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.54
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 118710230
2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide
CID 118710229
2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[methyl-(1-methylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]anilino]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 118710219
4-(4-chloro-2-nitrophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513280
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511583

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (CID 118710234) is 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is CN(C(=O)CN(CC(=O)NC[C@H]1CCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ZVAPSFHTGAGEON-RUZDIDTESA-N. The full InChI is InChI=1S/C31H34Cl2N4O3/c1-36(26-15-21-5-2-3-6-22(21)16-26)31(39)20-37(19-30(38)35-18-25-7-4-14-34-25)28-17-24(33)10-13-29(28)40-27-11-8-23(32)9-12-27/h2-3,5-6,8-13,17,25-26,34H,4,7,14-16,18-20H2,1H3,(H,35,38)/t25-/m1/s1.
What are the key properties of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 581.54 g/mol, XLogP of 5.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 118710234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).