2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide

C18H16BrFN2O2 — CID 17493855

IUPAC2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1Br
InChIInChI=1S/C18H16BrFN2O2/c19-16-9-13(20)6-7-15(16)18(24)21-10-11-2-1-3-14(8-11)22-17(23)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H,21,24)(H,22,23)
InChIKeyXPMXTJAODTXAHU-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.87
Rot. Bonds5

About 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide

2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide (PubChem CID 17493855) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
PubChem CID17493855
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1Br
InChIInChI=1S/C18H16BrFN2O2/c19-16-9-13(20)6-7-15(16)18(24)21-10-11-2-1-3-14(8-11)22-17(23)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H,21,24)(H,22,23)
InChIKeyXPMXTJAODTXAHU-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 31710504
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide (CID 17493855) is 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide is O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide?
The InChIKey is XPMXTJAODTXAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c19-16-9-13(20)6-7-15(16)18(24)21-10-11-2-1-3-14(8-11)22-17(23)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H,21,24)(H,22,23).
What are the key properties of 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide?
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide has a molecular weight of 391.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 17493855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).