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

C19H20ClN3O — CID 82252810

IUPAC3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C19H20ClN3O/c20-15-9-6-14(7-10-15)8-11-18(24)23-17-5-2-1-4-16(17)19-21-12-3-13-22-19/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,22)(H,23,24)
InChIKeyANGFOCAIMZVGSP-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.65
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (PubChem CID 82252810) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
PubChem CID82252810
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C19H20ClN3O/c20-15-9-6-14(7-10-15)8-11-18(24)23-17-5-2-1-4-16(17)19-21-12-3-13-22-19/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,22)(H,23,24)
InChIKeyANGFOCAIMZVGSP-UHFFFAOYSA-N
XLogP3.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252916
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
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3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
CID 82240061
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[2-[[5-chloro-2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-3-phenylpropanamide
CID 46334399
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]butane-1-sulfonamide
CID 82251562
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (CID 82252810) is 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C1=NCCCN1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The InChIKey is ANGFOCAIMZVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-9-6-14(7-10-15)8-11-18(24)23-17-5-2-1-4-16(17)19-21-12-3-13-22-19/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,22)(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide has a molecular weight of 341.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 82252810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).