N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide

C17H15BrClN3O — CID 35754615

IUPACN-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide
SMILESO=C(NC1=NCCCN1c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15BrClN3O/c18-12-6-8-13(9-7-12)22-11-3-10-20-17(22)21-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21,23)
InChIKeyGHTFNKDICSVGHF-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.10
Rot. Bonds2

About N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide

N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide (PubChem CID 35754615) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide
PubChem CID35754615
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC NameN-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide
SMILESO=C(NC1=NCCCN1c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15BrClN3O/c18-12-6-8-13(9-7-12)22-11-3-10-20-17(22)21-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21,23)
InChIKeyGHTFNKDICSVGHF-UHFFFAOYSA-N
XLogP4.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide
CID 35755455
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea
CID 11046301
N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
CID 35755059
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide (CID 35754615) is N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide is O=C(NC1=NCCCN1c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide?
The InChIKey is GHTFNKDICSVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c18-12-6-8-13(9-7-12)22-11-3-10-20-17(22)21-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21,23).
What are the key properties of N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide?
N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide has a molecular weight of 392.68 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 35754615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).