(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide

C17H22Cl2N2O2 — CID 135112734

IUPAC(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C17H22Cl2N2O2/c1-23-15-4-2-7-17(15)8-3-9-21(11-17)16(22)20-14-6-5-12(18)10-13(14)19/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,20,22)/t15-,17-/m1/s1
InChIKeyQKHDQKWIINRRCM-NVXWUHKLSA-N
MW357.28 g/mol
LogP4.81
Rot. Bonds2

About (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide

(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 135112734) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID135112734
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C17H22Cl2N2O2/c1-23-15-4-2-7-17(15)8-3-9-21(11-17)16(22)20-14-6-5-12(18)10-13(14)19/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,20,22)/t15-,17-/m1/s1
InChIKeyQKHDQKWIINRRCM-NVXWUHKLSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 135102269
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
2-(4-chloro-3,5-dimethylphenoxy)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135092326
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
methyl 2-[4-[(2,4-dichlorophenyl)carbamoyl]-1,4-diazepan-1-yl]acetate
CID 78896636
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
(3aS,7R,7aR)-N-(2,4-dichlorophenyl)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide
CID 135093201
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118768284
(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide
CID 135113824

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide (CID 135112734) is (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide is CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C2.
What is the InChIKey of (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is QKHDQKWIINRRCM-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-23-15-4-2-7-17(15)8-3-9-21(11-17)16(22)20-14-6-5-12(18)10-13(14)19/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,20,22)/t15-,17-/m1/s1.
What are the key properties of (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide?
(4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-(2,4-dichlorophenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 135112734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).