N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide

C19H21Cl2N3O3 — CID 170580794

IUPACN-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC(=O)C2(CC(C(=O)NC(c3ccc(Cl)c(Cl)c3)C3CCCC3)C2)N1
InChIInChI=1S/C19H21Cl2N3O3/c20-13-6-5-11(7-14(13)21)15(10-3-1-2-4-10)22-16(25)12-8-19(9-12)17(26)23-18(27)24-19/h5-7,10,12,15H,1-4,8-9H2,(H,22,25)(H2,23,24,26,27)
InChIKeyKIFFXURWJMXEON-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.33
Rot. Bonds4

About N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide

N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide (PubChem CID 170580794) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
PubChem CID170580794
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC NameN-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC(=O)C2(CC(C(=O)NC(c3ccc(Cl)c(Cl)c3)C3CCCC3)C2)N1
InChIInChI=1S/C19H21Cl2N3O3/c20-13-6-5-11(7-14(13)21)15(10-3-1-2-4-10)22-16(25)12-8-19(9-12)17(26)23-18(27)24-19/h5-7,10,12,15H,1-4,8-9H2,(H,22,25)(H2,23,24,26,27)
InChIKeyKIFFXURWJMXEON-UHFFFAOYSA-N
XLogP3.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-2-oxo-1-azaspiro[3.3]heptane-6-carboxamide
CID 170578816
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
N-[(3-chlorophenyl)-cyclopentylmethyl]-7-[(5-cyano-2-pyridinyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170579911
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
2-(3-chlorophenyl)-2-cyclopentyl-2-[(6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carbonyl)amino]acetic acid
CID 170330265
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
(5R,7R,9R)-N-[(R)-(3-chloro-6-fluoro-2-methylphenyl)-cyclopentylmethyl]-9-methyl-4-oxo-1,3-diazaspiro[4.4]nonane-7-carboxamide
CID 170580812
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide (CID 170580794) is N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide is O=C1NC(=O)C2(CC(C(=O)NC(c3ccc(Cl)c(Cl)c3)C3CCCC3)C2)N1.
What is the InChIKey of N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The InChIKey is KIFFXURWJMXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c20-13-6-5-11(7-14(13)21)15(10-3-1-2-4-10)22-16(25)12-8-19(9-12)17(26)23-18(27)24-19/h5-7,10,12,15H,1-4,8-9H2,(H,22,25)(H2,23,24,26,27).
What are the key properties of N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 170580794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).