N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide

C20H18F4N2O3 — CID 140564708

IUPACN-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)/N=C/c1c(OC(F)F)cc(NOCC2CC2)c(F)c1F
InChIInChI=1S/C20H18F4N2O3/c21-18-14(10-25-17(27)8-12-4-2-1-3-5-12)16(29-20(23)24)9-15(19(18)22)26-28-11-13-6-7-13/h1-5,9-10,13,20,26H,6-8,11H2/b25-10+
InChIKeySQMFSUHTJIRXIS-KIBLKLHPSA-N
MW410.37 g/mol
LogP4.51
Rot. Bonds9

About N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide

N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide (PubChem CID 140564708) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide
PubChem CID140564708
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC NameN-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)/N=C/c1c(OC(F)F)cc(NOCC2CC2)c(F)c1F
InChIInChI=1S/C20H18F4N2O3/c21-18-14(10-25-17(27)8-12-4-2-1-3-5-12)16(29-20(23)24)9-15(19(18)22)26-28-11-13-6-7-13/h1-5,9-10,13,20,26H,6-8,11H2/b25-10+
InChIKeySQMFSUHTJIRXIS-KIBLKLHPSA-N
XLogP4.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
3-[4-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorophenyl]-3-imino-2-phenylpropanamide
CID 175881278
N,N-bis[N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]-3-oxo-2,4-diphenylbutanamide
CID 173057449
N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide
CID 142821883
3-(cyclopropylmethoxy)-4-(difluoromethoxymethyl)benzoic acid
CID 90104836
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide?
The IUPAC name of N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide (CID 140564708) is N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide?
The canonical SMILES for N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide is O=C(Cc1ccccc1)/N=C/c1c(OC(F)F)cc(NOCC2CC2)c(F)c1F.
What is the InChIKey of N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide?
The InChIKey is SQMFSUHTJIRXIS-KIBLKLHPSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c21-18-14(10-25-17(27)8-12-4-2-1-3-5-12)16(29-20(23)24)9-15(19(18)22)26-28-11-13-6-7-13/h1-5,9-10,13,20,26H,6-8,11H2/b25-10+.
What are the key properties of N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide?
N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide has a molecular weight of 410.37 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethoxyamino)-6-(difluoromethoxy)-2,3-difluorophenyl]methylidene]-2-phenylacetamide is sourced from PubChem (CID 140564708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).