N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide

C14H10BrCl2NO — CID 114307198

IUPACN-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-8-9-2-1-3-11(6-9)18-14(19)12-7-10(16)4-5-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyUYAZQMFEWPWBKF-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.14
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide

N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide (PubChem CID 114307198) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
PubChem CID114307198
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC NameN-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-8-9-2-1-3-11(6-9)18-14(19)12-7-10(16)4-5-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyUYAZQMFEWPWBKF-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
2,5-dichloro-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933296
N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103212445
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
2-bromo-N-[3-(bromomethyl)phenyl]-3-methylbenzamide
CID 114024071
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide (CID 114307198) is N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide is O=C(Nc1cccc(CBr)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide?
The InChIKey is UYAZQMFEWPWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-8-9-2-1-3-11(6-9)18-14(19)12-7-10(16)4-5-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide?
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide has a molecular weight of 359.05 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 114307198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).