benzhydryloxycarbonyliminocarbamic acid

C15H12N2O4 — CID 151723533

IUPACbenzhydryloxycarbonyliminocarbamic acid
SMILESO=C(O)N=NC(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-14(19)16-17-15(20)21-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,18,19)
InChIKeyRJCABPIOHMMNJR-UHFFFAOYSA-N
MW284.27 g/mol
LogP4.04
Rot. Bonds3

About benzhydryloxycarbonyliminocarbamic acid

benzhydryloxycarbonyliminocarbamic acid (PubChem CID 151723533) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is benzhydryloxycarbonyliminocarbamic acid.

Molecular Properties

Compound Namebenzhydryloxycarbonyliminocarbamic acid
PubChem CID151723533
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namebenzhydryloxycarbonyliminocarbamic acid
SMILESO=C(O)N=NC(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-14(19)16-17-15(20)21-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,18,19)
InChIKeyRJCABPIOHMMNJR-UHFFFAOYSA-N
XLogP4.04
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzhydryl 2,2-dihydroxyacetate
CID 11076121
phenoxycarbonyliminocarbamic acid
CID 68503217
dibenzhydryl (E)-but-2-enedioate
CID 19073748
benzhydryl 2,2-dichloroacetate
CID 102144827
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl 2-[(2-benzhydryloxy-2-oxoethyl)disulfanyl]acetate
CID 18965030
benzhydryl 1-hydroxycyclopropane-1-carboxylate
CID 125496378
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryl 2,2,2-triphenylacetate
CID 126186590

Frequently Asked Questions

What is the IUPAC name of benzhydryloxycarbonyliminocarbamic acid?
The IUPAC name of benzhydryloxycarbonyliminocarbamic acid (CID 151723533) is benzhydryloxycarbonyliminocarbamic acid.
What is the SMILES notation for benzhydryloxycarbonyliminocarbamic acid?
The canonical SMILES for benzhydryloxycarbonyliminocarbamic acid is O=C(O)N=NC(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryloxycarbonyliminocarbamic acid?
The InChIKey is RJCABPIOHMMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14(19)16-17-15(20)21-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,18,19).
What are the key properties of benzhydryloxycarbonyliminocarbamic acid?
benzhydryloxycarbonyliminocarbamic acid has a molecular weight of 284.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxycarbonyliminocarbamic acid is sourced from PubChem (CID 151723533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).