4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide

C15H17FN4O — CID 133309502

IUPAC4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
SMILESCc1ccnc(NCCCNC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O/c1-11-7-10-19-15(20-11)18-9-2-8-17-14(21)12-3-5-13(16)6-4-12/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyZRWDCMOCDHPGNI-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.16
Rot. Bonds6

About 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide

4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide (PubChem CID 133309502) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
PubChem CID133309502
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
SMILESCc1ccnc(NCCCNC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O/c1-11-7-10-19-15(20-11)18-9-2-8-17-14(21)12-3-5-13(16)6-4-12/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyZRWDCMOCDHPGNI-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
CID 133310012
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
CID 133321682
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-4-methylpyrimidin-2-amine
CID 133464996
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide (CID 133309502) is 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide is Cc1ccnc(NCCCNC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide?
The InChIKey is ZRWDCMOCDHPGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-7-10-19-15(20-11)18-9-2-8-17-14(21)12-3-5-13(16)6-4-12/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide?
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide has a molecular weight of 288.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 133309502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).