N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

C17H15ClF2N2O4 — CID 55915712

IUPACN-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)cc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-9(23)21-11-4-5-12(18)13(8-11)22-16(24)10-3-6-14(25-2)15(7-10)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24)
InChIKeyNAGQQPNDGWOGKX-UHFFFAOYSA-N
MW384.77 g/mol
LogP4.16
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55915712) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55915712
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)cc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-9(23)21-11-4-5-12(18)13(8-11)22-16(24)10-3-6-14(25-2)15(7-10)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24)
InChIKeyNAGQQPNDGWOGKX-UHFFFAOYSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 55916592
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 55915712) is N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)cc1OC(F)F.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is NAGQQPNDGWOGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-9(23)21-11-4-5-12(18)13(8-11)22-16(24)10-3-6-14(25-2)15(7-10)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 384.77 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55915712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).