4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

C17H16BrFN2O2 — CID 2530960

IUPAC4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-14-5-3-13(4-6-14)17(23)20-10-9-16(22)21-11-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyQTPSLRDXXBNLMW-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.02
Rot. Bonds6

About 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 2530960) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID2530960
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-14-5-3-13(4-6-14)17(23)20-10-9-16(22)21-11-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyQTPSLRDXXBNLMW-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
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CID 41311410
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
1-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24640870
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
(4-fluorophenyl) 3-[(4-bromobenzoyl)amino]propanoate
CID 26687697
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
4-chloro-N-[3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxopropyl]benzamide
CID 8942228
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 166202390

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (CID 2530960) is 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is QTPSLRDXXBNLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-14-5-3-13(4-6-14)17(23)20-10-9-16(22)21-11-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 379.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2530960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).