N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide

C17H16ClF2NO4 — CID 46489928

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C17H16ClF2NO4/c1-23-14-7-2-11(10-15(14)25-17(19)20)16(22)21-8-9-24-13-5-3-12(18)4-6-13/h2-7,10,17H,8-9H2,1H3,(H,21,22)
InChIKeyHTCBBLUUJKMBRZ-UHFFFAOYSA-N
MW371.77 g/mol
LogP3.76
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 46489928) has the molecular formula C17H16ClF2NO4 and a molecular weight of 371.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID46489928
Molecular FormulaC17H16ClF2NO4
Molecular Weight371.77 g/mol
Exact Mass371.07
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C17H16ClF2NO4/c1-23-14-7-2-11(10-15(14)25-17(19)20)16(22)21-8-9-24-13-5-3-12(18)4-6-13/h2-7,10,17H,8-9H2,1H3,(H,21,22)
InChIKeyHTCBBLUUJKMBRZ-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 46489928) is N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1OC(F)F.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is HTCBBLUUJKMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO4/c1-23-14-7-2-11(10-15(14)25-17(19)20)16(22)21-8-9-24-13-5-3-12(18)4-6-13/h2-7,10,17H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 371.77 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 46489928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).