3-bromo-5-(3-methoxyphenyl)benzamide

C14H12BrNO2 — CID 170460020

IUPAC3-bromo-5-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(Br)cc(C(N)=O)c2)c1
InChIInChI=1S/C14H12BrNO2/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H2,16,17)
InChIKeyQNSQQSQOOWFIFF-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-5-(3-methoxyphenyl)benzamide

3-bromo-5-(3-methoxyphenyl)benzamide (PubChem CID 170460020) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-5-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-(3-methoxyphenyl)benzamide
PubChem CID170460020
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-5-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(Br)cc(C(N)=O)c2)c1
InChIInChI=1S/C14H12BrNO2/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H2,16,17)
InChIKeyQNSQQSQOOWFIFF-UHFFFAOYSA-N
XLogP3.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
CID 170460021
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-[3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]benzamide
CID 71448678
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-5-(3-methoxyphenyl)benzamide (CID 170460020) is 3-bromo-5-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-5-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(Br)cc(C(N)=O)c2)c1.
What is the InChIKey of 3-bromo-5-(3-methoxyphenyl)benzamide?
The InChIKey is QNSQQSQOOWFIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H2,16,17).
What are the key properties of 3-bromo-5-(3-methoxyphenyl)benzamide?
3-bromo-5-(3-methoxyphenyl)benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 170460020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).