(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide

C16H20Cl2N2O3 — CID 72912147

IUPAC(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C16H20Cl2N2O3/c17-11-2-1-10(12(18)7-11)9-19-15(23)20-5-3-16(4-6-20)13(21)8-14(16)22/h1-2,7,13-14,21-22H,3-6,8-9H2,(H,19,23)/t13-,14+
InChIKeyIEYAYPLSCSMKCH-OKILXGFUSA-N
MW359.25 g/mol
LogP2.41
Rot. Bonds2

About (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide

(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 72912147) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID72912147
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C16H20Cl2N2O3/c17-11-2-1-10(12(18)7-11)9-19-15(23)20-5-3-16(4-6-20)13(21)8-14(16)22/h1-2,7,13-14,21-22H,3-6,8-9H2,(H,19,23)/t13-,14+
InChIKeyIEYAYPLSCSMKCH-OKILXGFUSA-N
XLogP2.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
CID 173135978
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
CID 72854525
6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 71554897
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609
1-[(4-chloro-2-fluorophenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122010820
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943
(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126431385
N-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 71554976

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 72912147) is (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is IEYAYPLSCSMKCH-OKILXGFUSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c17-11-2-1-10(12(18)7-11)9-19-15(23)20-5-3-16(4-6-20)13(21)8-14(16)22/h1-2,7,13-14,21-22H,3-6,8-9H2,(H,19,23)/t13-,14+.
What are the key properties of (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 72912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).