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

C17H16ClN3O — CID 82239946

IUPAC4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-6-2-13(3-7-14)17(22)21-15-8-4-12(5-9-15)16-19-10-1-11-20-16/h2-9H,1,10-11H2,(H,19,20)(H,21,22)
InChIKeyFJZMULNZYDQFJK-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.33
Rot. Bonds3

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

4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (PubChem CID 82239946) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
PubChem CID82239946
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-6-2-13(3-7-14)17(22)21-15-8-4-12(5-9-15)16-19-10-1-11-20-16/h2-9H,1,10-11H2,(H,19,20)(H,21,22)
InChIKeyFJZMULNZYDQFJK-UHFFFAOYSA-N
XLogP3.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[4-(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

4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
3-nitro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240227
methyl 4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzoate
CID 101477525
N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide
CID 158859432
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
2-(dimethylamino)-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82245947
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 75355784
1-[3-amino-5-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
CID 168914194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (CID 82239946) is 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The InChIKey is FJZMULNZYDQFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-6-2-13(3-7-14)17(22)21-15-8-4-12(5-9-15)16-19-10-1-11-20-16/h2-9H,1,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide has a molecular weight of 313.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 82239946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).