N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide

C17H18ClF2N3O3 — CID 8558761

IUPACN-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)Nc2cccnc2Cl)ccc1OC(F)F
InChIInChI=1S/C17H18ClF2N3O3/c1-23(10-15(24)22-12-4-3-7-21-16(12)18)9-11-5-6-13(26-17(19)20)14(8-11)25-2/h3-8,17H,9-10H2,1-2H3,(H,22,24)
InChIKeyUIQIEWIWMZRNNN-UHFFFAOYSA-N
MW385.80 g/mol
LogP3.42
Rot. Bonds8

About N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide

N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide (PubChem CID 8558761) has the molecular formula C17H18ClF2N3O3 and a molecular weight of 385.80 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
PubChem CID8558761
Molecular FormulaC17H18ClF2N3O3
Molecular Weight385.80 g/mol
Exact Mass385.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)Nc2cccnc2Cl)ccc1OC(F)F
InChIInChI=1S/C17H18ClF2N3O3/c1-23(10-15(24)22-12-4-3-7-21-16(12)18)9-11-5-6-13(26-17(19)20)14(8-11)25-2/h3-8,17H,9-10H2,1-2H3,(H,22,24)
InChIKeyUIQIEWIWMZRNNN-UHFFFAOYSA-N
XLogP3.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 16555115
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 46801652
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]acetamide
CID 55628135
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46556044
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide (CID 8558761) is N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide is COc1cc(CN(C)CC(=O)Nc2cccnc2Cl)ccc1OC(F)F.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The InChIKey is UIQIEWIWMZRNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3O3/c1-23(10-15(24)22-12-4-3-7-21-16(12)18)9-11-5-6-13(26-17(19)20)14(8-11)25-2/h3-8,17H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide has a molecular weight of 385.80 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 8558761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).