N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide

C20H22ClF2N3O3 — CID 27096760

IUPACN-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H22ClF2N3O3/c1-25(11-14-7-9-15(10-8-14)29-20(22)23)13-19(28)26(2)12-18(27)24-17-6-4-3-5-16(17)21/h3-10,20H,11-13H2,1-2H3,(H,24,27)
InChIKeyNZWWQUUWBUGKOE-UHFFFAOYSA-N
MW425.86 g/mol
LogP3.47
Rot. Bonds9

About N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide (PubChem CID 27096760) has the molecular formula C20H22ClF2N3O3 and a molecular weight of 425.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
PubChem CID27096760
Molecular FormulaC20H22ClF2N3O3
Molecular Weight425.86 g/mol
Exact Mass425.13
IUPAC NameN-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H22ClF2N3O3/c1-25(11-14-7-9-15(10-8-14)29-20(22)23)13-19(28)26(2)12-18(27)24-17-6-4-3-5-16(17)21/h3-10,20H,11-13H2,1-2H3,(H,24,27)
InChIKeyNZWWQUUWBUGKOE-UHFFFAOYSA-N
XLogP3.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 86922903
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55789087
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
CID 32540434
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide (CID 27096760) is N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide is CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide?
The InChIKey is NZWWQUUWBUGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N3O3/c1-25(11-14-7-9-15(10-8-14)29-20(22)23)13-19(28)26(2)12-18(27)24-17-6-4-3-5-16(17)21/h3-10,20H,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide has a molecular weight of 425.86 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 27096760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).