2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C35H35ClF2N4O3 — CID 66700626

IUPAC2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2
InChIInChI=1S/C35H35ClF2N4O3/c36-28-4-2-1-3-26(28)33(44)42(25-9-10-25)31-12-7-22-5-6-23(19-27(22)31)32(43)41-18-15-35(21-41)13-16-40(17-14-35)34(45)39-30-11-8-24(37)20-29(30)38/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2,(H,39,45)
InChIKeyISOOZNJVPQJAJN-UHFFFAOYSA-N
MW633.14 g/mol
LogP7.07
Rot. Bonds5

About 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 66700626) has the molecular formula C35H35ClF2N4O3 and a molecular weight of 633.14 g/mol. Its IUPAC name is 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID66700626
Molecular FormulaC35H35ClF2N4O3
Molecular Weight633.14 g/mol
Exact Mass632.24
IUPAC Name2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2
InChIInChI=1S/C35H35ClF2N4O3/c36-28-4-2-1-3-26(28)33(44)42(25-9-10-25)31-12-7-22-5-6-23(19-27(22)31)32(43)41-18-15-35(21-41)13-16-40(17-14-35)34(45)39-30-11-8-24(37)20-29(30)38/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2,(H,39,45)
InChIKeyISOOZNJVPQJAJN-UHFFFAOYSA-N
XLogP7.07
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.14
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 66700626) is 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2.
What is the InChIKey of 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is ISOOZNJVPQJAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClF2N4O3/c36-28-4-2-1-3-26(28)33(44)42(25-9-10-25)31-12-7-22-5-6-23(19-27(22)31)32(43)41-18-15-35(21-41)13-16-40(17-14-35)34(45)39-30-11-8-24(37)20-29(30)38/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2,(H,39,45).
What are the key properties of 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 633.14 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carbonyl]-N-(2,4-difluorophenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 66700626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).