CID 174007724

C20H15BN2O3 — CID 174007724

IUPAC—
SMILES[B]C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c[nH]1
InChIInChI=1S/C20H15BN2O3/c21-19(24)18-9-12(10-22-18)23-20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,22H,11H2,(H,23,25)
InChIKeyNAWZYMNHHUKXRO-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.68
Rot. Bonds4

About CID 174007724

CID 174007724 (PubChem CID 174007724) has the molecular formula C20H15BN2O3 and a molecular weight of 342.16 g/mol.

Molecular Properties

Compound NameCID 174007724
PubChem CID174007724
Molecular FormulaC20H15BN2O3
Molecular Weight342.16 g/mol
Exact Mass342.12
IUPAC Name—
SMILES[B]C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c[nH]1
InChIInChI=1S/C20H15BN2O3/c21-19(24)18-9-12(10-22-18)23-20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,22H,11H2,(H,23,25)
InChIKeyNAWZYMNHHUKXRO-UHFFFAOYSA-N
XLogP3.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 155823318
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
CID 141056438

Frequently Asked Questions

What is the IUPAC name of CID 174007724?
The IUPAC name of CID 174007724 (CID 174007724) is not available.
What is the SMILES notation for CID 174007724?
The canonical SMILES for CID 174007724 is [B]C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c[nH]1.
What is the InChIKey of CID 174007724?
The InChIKey is NAWZYMNHHUKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BN2O3/c21-19(24)18-9-12(10-22-18)23-20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,22H,11H2,(H,23,25).
What are the key properties of CID 174007724?
CID 174007724 has a molecular weight of 342.16 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174007724 is sourced from PubChem (CID 174007724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).