N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide

C16H13BrClF2NO4 — CID 16613969

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)c1
InChIInChI=1S/C16H13BrClF2NO4/c1-23-10-3-8(4-11(7-10)24-2)15(22)21-13-6-9(18)5-12(17)14(13)25-16(19)20/h3-7,16H,1-2H3,(H,21,22)
InChIKeyPNBWTBXAARWVFA-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.97
Rot. Bonds6

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide (PubChem CID 16613969) has the molecular formula C16H13BrClF2NO4 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
PubChem CID16613969
Molecular FormulaC16H13BrClF2NO4
Molecular Weight436.64 g/mol
Exact Mass434.97
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)c1
InChIInChI=1S/C16H13BrClF2NO4/c1-23-10-3-8(4-11(7-10)24-2)15(22)21-13-6-9(18)5-12(17)14(13)25-16(19)20/h3-7,16H,1-2H3,(H,21,22)
InChIKeyPNBWTBXAARWVFA-UHFFFAOYSA-N
XLogP4.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16613980
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 63187979

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide (CID 16613969) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)c1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is PNBWTBXAARWVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF2NO4/c1-23-10-3-8(4-11(7-10)24-2)15(22)21-13-6-9(18)5-12(17)14(13)25-16(19)20/h3-7,16H,1-2H3,(H,21,22).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 436.64 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 16613969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).