N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide

C16H13BrClF2NO3 — CID 18287143

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1
InChIInChI=1S/C16H13BrClF2NO3/c1-23-8-9-2-4-10(5-3-9)15(22)21-13-7-11(18)6-12(17)14(13)24-16(19)20/h2-7,16H,8H2,1H3,(H,21,22)
InChIKeyRQFJJWNJQPBMCI-UHFFFAOYSA-N
MW420.64 g/mol
LogP5.10
Rot. Bonds6

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide (PubChem CID 18287143) has the molecular formula C16H13BrClF2NO3 and a molecular weight of 420.64 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
PubChem CID18287143
Molecular FormulaC16H13BrClF2NO3
Molecular Weight420.64 g/mol
Exact Mass418.97
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1
InChIInChI=1S/C16H13BrClF2NO3/c1-23-8-9-2-4-10(5-3-9)15(22)21-13-7-11(18)6-12(17)14(13)24-16(19)20/h2-7,16H,8H2,1H3,(H,21,22)
InChIKeyRQFJJWNJQPBMCI-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide (CID 18287143) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide?
The InChIKey is RQFJJWNJQPBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF2NO3/c1-23-8-9-2-4-10(5-3-9)15(22)21-13-7-11(18)6-12(17)14(13)24-16(19)20/h2-7,16H,8H2,1H3,(H,21,22).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide has a molecular weight of 420.64 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 18287143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).