2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide

C18H16ClF3N2O3 — CID 22271572

IUPAC2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
SMILESO=C(NOCC1CC1CO)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClF3N2O3/c19-11-1-4-15(14(21)6-11)23-17-12(2-3-13(20)16(17)22)18(26)24-27-8-10-5-9(10)7-25/h1-4,6,9-10,23,25H,5,7-8H2,(H,24,26)
InChIKeyDYCWDSFZFWCWLG-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide

2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide (PubChem CID 22271572) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
PubChem CID22271572
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC Name2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
SMILESO=C(NOCC1CC1CO)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClF3N2O3/c19-11-1-4-15(14(21)6-11)23-17-12(2-3-13(20)16(17)22)18(26)24-27-8-10-5-9(10)7-25/h1-4,6,9-10,23,25H,5,7-8H2,(H,24,26)
InChIKeyDYCWDSFZFWCWLG-UHFFFAOYSA-N
XLogP3.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 22286415
5-chloro-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]-2-(4-iodo-2-methylanilino)benzamide
CID 22286016
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 164903450
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
3,4-difluoro-2-[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504106
3,4-difluoro-2-[2-fluoro-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504099
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
3,4-difluoro-2-[2-fluoro-4-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504097
3,4-difluoro-2-[2-fluoro-4-(methylsulfanylmethyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504105
3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 10216123

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide (CID 22271572) is 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide is O=C(NOCC1CC1CO)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide?
The InChIKey is DYCWDSFZFWCWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c19-11-1-4-15(14(21)6-11)23-17-12(2-3-13(20)16(17)22)18(26)24-27-8-10-5-9(10)7-25/h1-4,6,9-10,23,25H,5,7-8H2,(H,24,26).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide?
2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide has a molecular weight of 400.78 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide is sourced from PubChem (CID 22271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).