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

C17H16ClN3O — CID 82252768

IUPAC2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C1=NCCCN1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c18-14-8-3-1-6-12(14)17(22)21-15-9-4-2-7-13(15)16-19-10-5-11-20-16/h1-4,6-9H,5,10-11H2,(H,19,20)(H,21,22)
InChIKeyKYAYWGSSOMDBQX-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.33
Rot. Bonds3

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

2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (PubChem CID 82252768) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
PubChem CID82252768
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C1=NCCCN1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c18-14-8-3-1-6-12(14)17(22)21-15-9-4-2-7-13(15)16-19-10-5-11-20-16/h1-4,6-9H,5,10-11H2,(H,19,20)(H,21,22)
InChIKeyKYAYWGSSOMDBQX-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

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Related Compounds

2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
CID 82240061
3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252810
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240192
4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
CID 82247068
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
CID 22227306
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]butane-1-sulfonamide
CID 82251562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (CID 82252768) is 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is O=C(Nc1ccccc1C1=NCCCN1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The InChIKey is KYAYWGSSOMDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-8-3-1-6-12(14)17(22)21-15-9-4-2-7-13(15)16-19-10-5-11-20-16/h1-4,6-9H,5,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
2-chloro-N-[2-(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 2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 82252768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).