3-bromo-5-chloro-N-naphthalen-2-ylbenzamide

C17H11BrClNO — CID 107951653

IUPAC3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H11BrClNO/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-10H,(H,20,21)
InChIKeyBTZCDQDVZFTFGR-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.51
Rot. Bonds2

About 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide

3-bromo-5-chloro-N-naphthalen-2-ylbenzamide (PubChem CID 107951653) has the molecular formula C17H11BrClNO and a molecular weight of 360.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
PubChem CID107951653
Molecular FormulaC17H11BrClNO
Molecular Weight360.64 g/mol
Exact Mass358.97
IUPAC Name3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H11BrClNO/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-10H,(H,20,21)
InChIKeyBTZCDQDVZFTFGR-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
3-bromo-5-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 107951382
3-bromo-5-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107951405
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide (CID 107951653) is 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide is O=C(Nc1ccc2ccccc2c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide?
The InChIKey is BTZCDQDVZFTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-10H,(H,20,21).
What are the key properties of 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide?
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide has a molecular weight of 360.64 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 107951653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).