N-bis(furan-2-ylmethylamino)phosphorylbenzamide

C17H18N3O4P — CID 86094455

IUPACN-bis(furan-2-ylmethylamino)phosphorylbenzamide
SMILESO=C(NP(=O)(NCc1ccco1)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H18N3O4P/c21-17(14-6-2-1-3-7-14)20-25(22,18-12-15-8-4-10-23-15)19-13-16-9-5-11-24-16/h1-11H,12-13H2,(H3,18,19,20,21,22)
InChIKeyUEWFDUZFZYKPCN-UHFFFAOYSA-N
MW359.32 g/mol
LogP3.29
Rot. Bonds8

About N-bis(furan-2-ylmethylamino)phosphorylbenzamide

N-bis(furan-2-ylmethylamino)phosphorylbenzamide (PubChem CID 86094455) has the molecular formula C17H18N3O4P and a molecular weight of 359.32 g/mol. Its IUPAC name is N-bis(furan-2-ylmethylamino)phosphorylbenzamide.

Molecular Properties

Compound NameN-bis(furan-2-ylmethylamino)phosphorylbenzamide
PubChem CID86094455
Molecular FormulaC17H18N3O4P
Molecular Weight359.32 g/mol
Exact Mass359.10
IUPAC NameN-bis(furan-2-ylmethylamino)phosphorylbenzamide
SMILESO=C(NP(=O)(NCc1ccco1)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H18N3O4P/c21-17(14-6-2-1-3-7-14)20-25(22,18-12-15-8-4-10-23-15)19-13-16-9-5-11-24-16/h1-11H,12-13H2,(H3,18,19,20,21,22)
InChIKeyUEWFDUZFZYKPCN-UHFFFAOYSA-N
XLogP3.29
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-bis(furan-2-ylmethylamino)phosphorylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
CID 1415423
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
CID 82347367
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226

Frequently Asked Questions

What is the IUPAC name of N-bis(furan-2-ylmethylamino)phosphorylbenzamide?
The IUPAC name of N-bis(furan-2-ylmethylamino)phosphorylbenzamide (CID 86094455) is N-bis(furan-2-ylmethylamino)phosphorylbenzamide.
What is the SMILES notation for N-bis(furan-2-ylmethylamino)phosphorylbenzamide?
The canonical SMILES for N-bis(furan-2-ylmethylamino)phosphorylbenzamide is O=C(NP(=O)(NCc1ccco1)NCc1ccco1)c1ccccc1.
What is the InChIKey of N-bis(furan-2-ylmethylamino)phosphorylbenzamide?
The InChIKey is UEWFDUZFZYKPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N3O4P/c21-17(14-6-2-1-3-7-14)20-25(22,18-12-15-8-4-10-23-15)19-13-16-9-5-11-24-16/h1-11H,12-13H2,(H3,18,19,20,21,22).
What are the key properties of N-bis(furan-2-ylmethylamino)phosphorylbenzamide?
N-bis(furan-2-ylmethylamino)phosphorylbenzamide has a molecular weight of 359.32 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(furan-2-ylmethylamino)phosphorylbenzamide is sourced from PubChem (CID 86094455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).