2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide

C14H10Br3NO — CID 107939159

IUPAC2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3NO/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyJZJATMJTYUSMPP-UHFFFAOYSA-N
MW447.95 g/mol
LogP4.90
Rot. Bonds3

About 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide

2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide (PubChem CID 107939159) has the molecular formula C14H10Br3NO and a molecular weight of 447.95 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
PubChem CID107939159
Molecular FormulaC14H10Br3NO
Molecular Weight447.95 g/mol
Exact Mass444.83
IUPAC Name2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3NO/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyJZJATMJTYUSMPP-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
4-bromo-N-[(3-fluorophenyl)methyl]-2-sulfanylbenzamide
CID 107022076
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide (CID 107939159) is 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide is O=C(NCc1cccc(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide?
The InChIKey is JZJATMJTYUSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3NO/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide?
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide has a molecular weight of 447.95 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide is sourced from PubChem (CID 107939159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).