CID 163872370

C14H19BFNO2 — CID 163872370

IUPAC—
SMILES[B]c1c(C)cc(N(CCOCCF)C(C)=O)cc1C
InChIInChI=1S/C14H19BFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3
InChIKeyKTALXPSPXJIPGQ-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.44
Rot. Bonds6

About CID 163872370

CID 163872370 (PubChem CID 163872370) has the molecular formula C14H19BFNO2 and a molecular weight of 263.12 g/mol.

Molecular Properties

Compound NameCID 163872370
PubChem CID163872370
Molecular FormulaC14H19BFNO2
Molecular Weight263.12 g/mol
Exact Mass263.15
IUPAC Name—
SMILES[B]c1c(C)cc(N(CCOCCF)C(C)=O)cc1C
InChIInChI=1S/C14H19BFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3
InChIKeyKTALXPSPXJIPGQ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
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2-[N-acetyl-3-methyl-4-(2-sulfanylethyl)anilino]ethyl acetate
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N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
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2-[N-acetyl-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethyl acetate
CID 66816837
[4-[acetyl-[2-(2-hydroxyethoxy)ethyl]amino]-3-chlorophenyl] trifluoromethanesulfonate
CID 87358819
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
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N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
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methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955

Frequently Asked Questions

What is the IUPAC name of CID 163872370?
The IUPAC name of CID 163872370 (CID 163872370) is not available.
What is the SMILES notation for CID 163872370?
The canonical SMILES for CID 163872370 is [B]c1c(C)cc(N(CCOCCF)C(C)=O)cc1C.
What is the InChIKey of CID 163872370?
The InChIKey is KTALXPSPXJIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3.
What are the key properties of CID 163872370?
CID 163872370 has a molecular weight of 263.12 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163872370 is sourced from PubChem (CID 163872370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).