CID 59825938

C15H19BCl2NO3 — CID 59825938

IUPAC—
SMILESC[B]C(=O)N1CCOC(CCOC)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19BCl2NO3/c1-16-14(20)19-6-8-22-15(10-19,5-7-21-2)11-3-4-12(17)13(18)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQUPXKQXHDKMOCE-UHFFFAOYSA-N
MW343.04 g/mol
LogP3.43
Rot. Bonds5

About CID 59825938

CID 59825938 (PubChem CID 59825938) has the molecular formula C15H19BCl2NO3 and a molecular weight of 343.04 g/mol.

Molecular Properties

Compound NameCID 59825938
PubChem CID59825938
Molecular FormulaC15H19BCl2NO3
Molecular Weight343.04 g/mol
Exact Mass342.08
IUPAC Name—
SMILESC[B]C(=O)N1CCOC(CCOC)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19BCl2NO3/c1-16-14(20)19-6-8-22-15(10-19,5-7-21-2)11-3-4-12(17)13(18)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQUPXKQXHDKMOCE-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.04
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59825939
CID 59825939
2-[2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl 4-nitrobenzenesulfonate
CID 11215957
2-[4-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl 4-nitrobenzenesulfonate
CID 11422624
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide;hydrate;hydrochloride
CID 21200580
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-dichlorophenyl)acetyl]morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 18677182
tert-butyl (7S)-7-(3,4-dichlorophenyl)-7-(2,3-dihydroxypropoxymethyl)-1,4-oxazepane-4-carboxylate
CID 66975523
3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]-2-nitrobenzenesulfonic acid
CID 87799398
1-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 46919619
2-[1-[2-[2-(3,4-dichlorophenyl)-4-[2-(3,5-dimethylphenyl)acetyl]morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide;hydrochloride
CID 18677187
1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 10168683
2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl methanesulfonate
CID 19591389
2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 134584108

Frequently Asked Questions

What is the IUPAC name of CID 59825938?
The IUPAC name of CID 59825938 (CID 59825938) is not available.
What is the SMILES notation for CID 59825938?
The canonical SMILES for CID 59825938 is C[B]C(=O)N1CCOC(CCOC)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of CID 59825938?
The InChIKey is QUPXKQXHDKMOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BCl2NO3/c1-16-14(20)19-6-8-22-15(10-19,5-7-21-2)11-3-4-12(17)13(18)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of CID 59825938?
CID 59825938 has a molecular weight of 343.04 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59825938 is sourced from PubChem (CID 59825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).