N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C21H22F2N2O4 — CID 33349377

IUPACN-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(OC(F)F)c(OC)c2)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O4/c1-24-19(26)14-5-3-13(4-6-14)12-25(16-8-9-16)20(27)15-7-10-17(29-21(22)23)18(11-15)28-2/h3-7,10-11,16,21H,8-9,12H2,1-2H3,(H,24,26)
InChIKeyCJICMFMEVSZAEX-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.46
Rot. Bonds8

About N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 33349377) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID33349377
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC NameN-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(OC(F)F)c(OC)c2)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O4/c1-24-19(26)14-5-3-13(4-6-14)12-25(16-8-9-16)20(27)15-7-10-17(29-21(22)23)18(11-15)28-2/h3-7,10-11,16,21H,8-9,12H2,1-2H3,(H,24,26)
InChIKeyCJICMFMEVSZAEX-UHFFFAOYSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]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

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
CID 24504404
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 167793048
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 33349377) is N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(C(=O)c2ccc(OC(F)F)c(OC)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is CJICMFMEVSZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-24-19(26)14-5-3-13(4-6-14)12-25(16-8-9-16)20(27)15-7-10-17(29-21(22)23)18(11-15)28-2/h3-7,10-11,16,21H,8-9,12H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 404.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 33349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).