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

About 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

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 (PubChem CID 118710230) has the molecular formula C31H36Cl2N4O3 and a molecular weight of 583.56 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-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name	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
PubChem CID	118710230
Molecular Formula	C31H36Cl2N4O3
Molecular Weight	583.56 g/mol
Exact Mass	582.22
IUPAC Name	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
SMILES	CC(C)NCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChI	InChI=1S/C31H36Cl2N4O3/c1-21(2)34-14-15-35-30(38)19-37(20-31(39)36(3)26-16-22-6-4-5-7-23(22)17-26)28-18-25(33)10-13-29(28)40-27-11-8-24(32)9-12-27/h4-13,18,21,26,34H,14-17,19-20H2,1-3H3,(H,35,38)
InChIKey	GECQJDHEGVDGLS-UHFFFAOYSA-N
XLogP	5.33
TPSA	73.91 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

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-[2-(propan-2-ylamino)ethyl]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-[2-(propan-2-ylamino)ethyl]acetamide (CID 118710230) is 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.

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-[2-(propan-2-ylamino)ethyl]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-[2-(propan-2-ylamino)ethyl]acetamide is CC(C)NCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.

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-[2-(propan-2-ylamino)ethyl]acetamide?

The InChIKey is GECQJDHEGVDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N4O3/c1-21(2)34-14-15-35-30(38)19-37(20-31(39)36(3)26-16-22-6-4-5-7-23(22)17-26)28-18-25(33)10-13-29(28)40-27-11-8-24(32)9-12-27/h4-13,18,21,26,34H,14-17,19-20H2,1-3H3,(H,35,38).

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-[2-(propan-2-ylamino)ethyl]acetamide?

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 has a molecular weight of 583.56 g/mol, XLogP of 5.33, 12 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-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 118710230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).