[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid

C15H15N2O4P — CID 59679789

IUPAC[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cc2ccc(NC(=O)OP)cc2)cc1
InChIInChI=1S/C15H15N2O4P/c18-14(19)16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-15(20)21-22/h1-8,16H,9,22H2,(H,17,20)(H,18,19)
InChIKeyPDHGIRLFKWVFEQ-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.71
Rot. Bonds4

About [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid

[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid (PubChem CID 59679789) has the molecular formula C15H15N2O4P and a molecular weight of 318.27 g/mol. Its IUPAC name is [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
PubChem CID59679789
Molecular FormulaC15H15N2O4P
Molecular Weight318.27 g/mol
Exact Mass318.08
IUPAC Name[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cc2ccc(NC(=O)OP)cc2)cc1
InChIInChI=1S/C15H15N2O4P/c18-14(19)16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-15(20)21-22/h1-8,16H,9,22H2,(H,17,20)(H,18,19)
InChIKeyPDHGIRLFKWVFEQ-UHFFFAOYSA-N
XLogP3.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;uranium
CID 59679788
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium
CID 59679782
[4-(2-iodoethyl)phenyl]carbamic acid
CID 66577892
[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539
[4-[(3-fluoro-4-formylphenyl)methyl]phenyl]carbamic acid
CID 174187468
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
CID 144683165

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid?
The IUPAC name of [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid (CID 59679789) is [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid?
The canonical SMILES for [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid is O=C(O)Nc1ccc(Cc2ccc(NC(=O)OP)cc2)cc1.
What is the InChIKey of [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid?
The InChIKey is PDHGIRLFKWVFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O4P/c18-14(19)16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-15(20)21-22/h1-8,16H,9,22H2,(H,17,20)(H,18,19).
What are the key properties of [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid?
[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid has a molecular weight of 318.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid is sourced from PubChem (CID 59679789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).