3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide

C15H12BrFN2O2 — CID 103706738

IUPAC3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-7-11(4-5-13(12)17)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyFTVQOOCWRGHVNO-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.62
Rot. Bonds4

About 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide

3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide (PubChem CID 103706738) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
PubChem CID103706738
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-7-11(4-5-13(12)17)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyFTVQOOCWRGHVNO-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
CID 115297287
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 32637447
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 103706462

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide (CID 103706738) is 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide is NC(=O)c1cccc(CNC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide?
The InChIKey is FTVQOOCWRGHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-12-7-11(4-5-13(12)17)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21).
What are the key properties of 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide?
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide has a molecular weight of 351.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 103706738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).