N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide

C19H20F3N3O4 — CID 55744578

IUPACN-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)ccc1NC(C)=O
InChIInChI=1S/C19H20F3N3O4/c1-12(26)24-16-7-6-14(9-17(16)28-2)25-18(27)23-10-13-4-3-5-15(8-13)29-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyKSGKZYPWSRWPOK-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.92
Rot. Bonds7

About N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide

N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide (PubChem CID 55744578) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
PubChem CID55744578
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC NameN-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)ccc1NC(C)=O
InChIInChI=1S/C19H20F3N3O4/c1-12(26)24-16-7-6-14(9-17(16)28-2)25-18(27)23-10-13-4-3-5-15(8-13)29-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyKSGKZYPWSRWPOK-UHFFFAOYSA-N
XLogP3.92
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 47034671
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-[2-(2-methoxyethoxy)phenyl]-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 86841804
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide (CID 55744578) is N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide is COc1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide?
The InChIKey is KSGKZYPWSRWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-12(26)24-16-7-6-14(9-17(16)28-2)25-18(27)23-10-13-4-3-5-15(8-13)29-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide?
N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide has a molecular weight of 411.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 55744578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).