3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide

C14H11BrClNO2 — CID 47408337

IUPAC3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H11BrClNO2/c1-19-11-5-6-12(16)13(8-11)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyNTFCXKIJBIVPHQ-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.36
Rot. Bonds3

About 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide

3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide (PubChem CID 47408337) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
PubChem CID47408337
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H11BrClNO2/c1-19-11-5-6-12(16)13(8-11)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyNTFCXKIJBIVPHQ-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
CID 1034731
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide (CID 47408337) is 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide is COc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide?
The InChIKey is NTFCXKIJBIVPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-19-11-5-6-12(16)13(8-11)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide?
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide has a molecular weight of 340.60 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide is sourced from PubChem (CID 47408337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).