N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C19H17F5N2O3 — CID 34508604

IUPACN-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F5N2O3/c20-18(21)29-15-7-1-12(2-8-15)11-16(27)25-9-10-26-17(28)13-3-5-14(6-4-13)19(22,23)24/h1-8,18H,9-11H2,(H,25,27)(H,26,28)
InChIKeyCCKRKWAIRSMQJS-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 34508604) has the molecular formula C19H17F5N2O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID34508604
Molecular FormulaC19H17F5N2O3
Molecular Weight416.35 g/mol
Exact Mass416.12
IUPAC NameN-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F5N2O3/c20-18(21)29-15-7-1-12(2-8-15)11-16(27)25-9-10-26-17(28)13-3-5-14(6-4-13)19(22,23)24/h1-8,18H,9-11H2,(H,25,27)(H,26,28)
InChIKeyCCKRKWAIRSMQJS-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 34508604) is N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(Cc1ccc(OC(F)F)cc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CCKRKWAIRSMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O3/c20-18(21)29-15-7-1-12(2-8-15)11-16(27)25-9-10-26-17(28)13-3-5-14(6-4-13)19(22,23)24/h1-8,18H,9-11H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 416.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 34508604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).