4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide

C16H19FN4O2 — CID 135115730

IUPAC4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1)NCCCc1ncc[nH]1
InChIInChI=1S/C16H19FN4O2/c17-13-5-3-12(4-6-13)16(23)21-9-7-15(22)20-8-1-2-14-18-10-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,18,19)(H,20,22)(H,21,23)
InChIKeyDDGJUDLCOYNOBY-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.42
Rot. Bonds8

About 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide

4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide (PubChem CID 135115730) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
PubChem CID135115730
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1)NCCCc1ncc[nH]1
InChIInChI=1S/C16H19FN4O2/c17-13-5-3-12(4-6-13)16(23)21-9-7-15(22)20-8-1-2-14-18-10-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,18,19)(H,20,22)(H,21,23)
InChIKeyDDGJUDLCOYNOBY-UHFFFAOYSA-N
XLogP1.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(2,4,5-trifluorophenyl)quinoxaline-6-carboxamide
CID 118463473
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
2-(4-fluorophenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463972
3-(3-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463759
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
2-[(3,3-difluorocyclobutyl)methoxy]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463564
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide (CID 135115730) is 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1)NCCCc1ncc[nH]1.
What is the InChIKey of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide?
The InChIKey is DDGJUDLCOYNOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-5-3-12(4-6-13)16(23)21-9-7-15(22)20-8-1-2-14-18-10-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide has a molecular weight of 318.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 135115730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).