N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide

C23H18N4O2 — CID 71127326

IUPACN-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ncnc3c2OC2C=CC=CC32)cc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-23(15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)26-22-21-20(24-14-25-22)18-8-4-5-9-19(18)29-21/h1-14,18-19H,(H,27,28)(H,24,25,26)
InChIKeyZUDRFSPMICDCCN-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide

N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide (PubChem CID 71127326) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide
PubChem CID71127326
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ncnc3c2OC2C=CC=CC32)cc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-23(15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)26-22-21-20(24-14-25-22)18-8-4-5-9-19(18)29-21/h1-14,18-19H,(H,27,28)(H,24,25,26)
InChIKeyZUDRFSPMICDCCN-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide 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-[(6-amino-5-formylpyrimidin-4-yl)amino]phenyl]benzamide
CID 86658970
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-[4-(phenylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 177257040
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide
CID 141247329
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide?
The IUPAC name of N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide (CID 71127326) is N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide?
The canonical SMILES for N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide is O=C(Nc1ccc(Nc2ncnc3c2OC2C=CC=CC32)cc1)c1ccccc1.
What is the InChIKey of N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide?
The InChIKey is ZUDRFSPMICDCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-23(15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)26-22-21-20(24-14-25-22)18-8-4-5-9-19(18)29-21/h1-14,18-19H,(H,27,28)(H,24,25,26).
What are the key properties of N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide?
N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5a,9a-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 71127326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).