N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide

C17H18F2N2O3 — CID 17464128

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2N2O3/c1-11(20-12-3-7-14(23-2)8-4-12)16(22)21-13-5-9-15(10-6-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22)
InChIKeyVTLNSLHLHHSWJM-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.74
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide

N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide (PubChem CID 17464128) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
PubChem CID17464128
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2N2O3/c1-11(20-12-3-7-14(23-2)8-4-12)16(22)21-13-5-9-15(10-6-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22)
InChIKeyVTLNSLHLHHSWJM-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
CID 43244370
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide (CID 17464128) is N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide?
The InChIKey is VTLNSLHLHHSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11(20-12-3-7-14(23-2)8-4-12)16(22)21-13-5-9-15(10-6-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide?
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide has a molecular weight of 336.34 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide is sourced from PubChem (CID 17464128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).