2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide

C17H15Cl2N3O — CID 82252888

IUPAC2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2=NCCCN2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c18-12-5-6-15(19)14(10-12)17(23)22-13-4-1-3-11(9-13)16-20-7-2-8-21-16/h1,3-6,9-10H,2,7-8H2,(H,20,21)(H,22,23)
InChIKeyHNNYAMKJAGZAAS-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.99
Rot. Bonds3

About 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide

2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (PubChem CID 82252888) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
PubChem CID82252888
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2=NCCCN2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c18-12-5-6-15(19)14(10-12)17(23)22-13-4-1-3-11(9-13)16-20-7-2-8-21-16/h1,3-6,9-10H,2,7-8H2,(H,20,21)(H,22,23)
InChIKeyHNNYAMKJAGZAAS-UHFFFAOYSA-N
XLogP3.99
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)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

1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
2-(2,4-dichlorophenoxy)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253139
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82239946
2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82252745
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919861

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (CID 82252888) is 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is O=C(Nc1cccc(C2=NCCCN2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The InChIKey is HNNYAMKJAGZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-12-5-6-15(19)14(10-12)17(23)22-13-4-1-3-11(9-13)16-20-7-2-8-21-16/h1,3-6,9-10H,2,7-8H2,(H,20,21)(H,22,23).
What are the key properties of 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide has a molecular weight of 348.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 82252888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).