CID 174682832

C20H21BF4NO — CID 174682832

IUPAC—
SMILESCC(=O)Nc1ccc(-c2ccccc2-c2ccccc2)cc1.F.F.F.F.[B]
InChIInChI=1S/C20H17NO.B.4FH/c1-15(22)21-18-13-11-17(12-14-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16;;;;;/h2-14H,1H3,(H,21,22);;4*1H
InChIKeyZREVVDFRVWODGB-UHFFFAOYSA-N
MW378.20 g/mol
LogP5.21
Rot. Bonds3

About CID 174682832

CID 174682832 (PubChem CID 174682832) has the molecular formula C20H21BF4NO and a molecular weight of 378.20 g/mol.

Molecular Properties

Compound NameCID 174682832
PubChem CID174682832
Molecular FormulaC20H21BF4NO
Molecular Weight378.20 g/mol
Exact Mass378.17
IUPAC Name—
SMILESCC(=O)Nc1ccc(-c2ccccc2-c2ccccc2)cc1.F.F.F.F.[B]
InChIInChI=1S/C20H17NO.B.4FH/c1-15(22)21-18-13-11-17(12-14-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16;;;;;/h2-14H,1H3,(H,21,22);;4*1H
InChIKeyZREVVDFRVWODGB-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
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acetyl bromide;N-phenylacetamide
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cobalt;N-phenylacetamide
CID 158689050
N-phenylacetamide;toluene
CID 175205531
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2-(5-acetamido-2-phenylphenyl)acetic acid
CID 11708801
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-(4-methylphenyl)acetamide
CID 7684
N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645921
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667

Frequently Asked Questions

What is the IUPAC name of CID 174682832?
The IUPAC name of CID 174682832 (CID 174682832) is not available.
What is the SMILES notation for CID 174682832?
The canonical SMILES for CID 174682832 is CC(=O)Nc1ccc(-c2ccccc2-c2ccccc2)cc1.F.F.F.F.[B].
What is the InChIKey of CID 174682832?
The InChIKey is ZREVVDFRVWODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO.B.4FH/c1-15(22)21-18-13-11-17(12-14-18)20-10-6-5-9-19(20)16-7-3-2-4-8-16;;;;;/h2-14H,1H3,(H,21,22);;4*1H.
What are the key properties of CID 174682832?
CID 174682832 has a molecular weight of 378.20 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174682832 is sourced from PubChem (CID 174682832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).