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

C19H20N4O2 — CID 82240480

IUPAC3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13(24)22-17-5-2-4-15(12-17)19(25)23-16-8-6-14(7-9-16)18-20-10-3-11-21-18/h2,4-9,12H,3,10-11H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyDCIZDVNCCPGUMS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.64
Rot. Bonds4

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

3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (PubChem CID 82240480) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
PubChem CID82240480
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13(24)22-17-5-2-4-15(12-17)19(25)23-16-8-6-14(7-9-16)18-20-10-3-11-21-18/h2,4-9,12H,3,10-11H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyDCIZDVNCCPGUMS-UHFFFAOYSA-N
XLogP2.64
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-nitro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240227
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
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
3-[(4-carbamothioylphenyl)carbamoylamino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
CID 21139769
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82239946
2-acetamido-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44530994
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 540732
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide (CID 82240480) is 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
The InChIKey is DCIZDVNCCPGUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(24)22-17-5-2-4-15(12-17)19(25)23-16-8-6-14(7-9-16)18-20-10-3-11-21-18/h2,4-9,12H,3,10-11H2,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide?
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 82240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).