4-bromo-3-chloro-5-fluorobenzamide

C7H4BrClFNO — CID 130977761

IUPAC4-bromo-3-chloro-5-fluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClFNO/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H2,11,12)
InChIKeySVXRVVNYDUCHLH-UHFFFAOYSA-N
MW252.47 g/mol
LogP2.34
Rot. Bonds1

About 4-bromo-3-chloro-5-fluorobenzamide

4-bromo-3-chloro-5-fluorobenzamide (PubChem CID 130977761) has the molecular formula C7H4BrClFNO and a molecular weight of 252.47 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-5-fluorobenzamide
PubChem CID130977761
Molecular FormulaC7H4BrClFNO
Molecular Weight252.47 g/mol
Exact Mass250.91
IUPAC Name4-bromo-3-chloro-5-fluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClFNO/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H2,11,12)
InChIKeySVXRVVNYDUCHLH-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
CID 177301592
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
3,5-dichloro-4-iodobenzamide
CID 50849721
3-bromo-4-chloro-5-(trifluoromethyl)benzamide
CID 146676133
3-bromo-5-chlorobenzamide
CID 53417471
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
4-bromo-3,5-dichlorobenzohydrazide
CID 169499880
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
3,4-dichloro-5-methylbenzamide
CID 121228378
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
CID 130542983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-fluorobenzamide?
The IUPAC name of 4-bromo-3-chloro-5-fluorobenzamide (CID 130977761) is 4-bromo-3-chloro-5-fluorobenzamide.
What is the SMILES notation for 4-bromo-3-chloro-5-fluorobenzamide?
The canonical SMILES for 4-bromo-3-chloro-5-fluorobenzamide is NC(=O)c1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-5-fluorobenzamide?
The InChIKey is SVXRVVNYDUCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H2,11,12).
What are the key properties of 4-bromo-3-chloro-5-fluorobenzamide?
4-bromo-3-chloro-5-fluorobenzamide has a molecular weight of 252.47 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-fluorobenzamide is sourced from PubChem (CID 130977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).