N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

C16H11ClF2N2O3 — CID 55758526

IUPACN-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC(F)F
InChIInChI=1S/C16H11ClF2N2O3/c1-23-13-5-2-9(7-14(13)24-16(18)19)15(22)21-11-3-4-12(17)10(6-11)8-20/h2-7,16H,1H3,(H,21,22)
InChIKeyVRHBVGWMQWPCQP-UHFFFAOYSA-N
MW352.72 g/mol
LogP4.07
Rot. Bonds5

About N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55758526) has the molecular formula C16H11ClF2N2O3 and a molecular weight of 352.72 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55758526
Molecular FormulaC16H11ClF2N2O3
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC NameN-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC(F)F
InChIInChI=1S/C16H11ClF2N2O3/c1-23-13-5-2-9(7-14(13)24-16(18)19)15(22)21-11-3-4-12(17)10(6-11)8-20/h2-7,16H,1H3,(H,21,22)
InChIKeyVRHBVGWMQWPCQP-UHFFFAOYSA-N
XLogP4.07
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55915712
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-(5-acetamido-2-chlorophenyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 55916592
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 55758526) is N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC(F)F.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is VRHBVGWMQWPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O3/c1-23-13-5-2-9(7-14(13)24-16(18)19)15(22)21-11-3-4-12(17)10(6-11)8-20/h2-7,16H,1H3,(H,21,22).
What are the key properties of N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 352.72 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55758526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).