N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C27H26ClN3O2 — CID 24952584

IUPACN-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-19-22(28)13-8-14-23(19)29-26(33)30-17-15-27(16-18-30)24(20-9-4-2-5-10-20)31(25(27)32)21-11-6-3-7-12-21/h2-14,24H,15-18H2,1H3,(H,29,33)
InChIKeyVMPQWWPKHRWFPW-UHFFFAOYSA-N
MW459.98 g/mol
LogP6.05
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24952584) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24952584
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC NameN-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-19-22(28)13-8-14-23(19)29-26(33)30-17-15-27(16-18-30)24(20-9-4-2-5-10-20)31(25(27)32)21-11-6-3-7-12-21/h2-14,24H,15-18H2,1H3,(H,29,33)
InChIKeyVMPQWWPKHRWFPW-UHFFFAOYSA-N
XLogP6.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023
(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24951862
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24952584) is N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is VMPQWWPKHRWFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-19-22(28)13-8-14-23(19)29-26(33)30-17-15-27(16-18-30)24(20-9-4-2-5-10-20)31(25(27)32)21-11-6-3-7-12-21/h2-14,24H,15-18H2,1H3,(H,29,33).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24952584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).