2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide

C24H23F2N3O4 — CID 55962117

IUPAC2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1OC(F)F
InChIInChI=1S/C24H23F2N3O4/c1-15(27-22(30)19-9-6-10-20(32-2)21(19)33-23(25)26)16-11-13-18(14-12-16)29-24(31)28-17-7-4-3-5-8-17/h3-15,23H,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyZWZFKCZZFZGYLW-UHFFFAOYSA-N
MW455.46 g/mol
LogP5.43
Rot. Bonds8

About 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide (PubChem CID 55962117) has the molecular formula C24H23F2N3O4 and a molecular weight of 455.46 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
PubChem CID55962117
Molecular FormulaC24H23F2N3O4
Molecular Weight455.46 g/mol
Exact Mass455.17
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1OC(F)F
InChIInChI=1S/C24H23F2N3O4/c1-15(27-22(30)19-9-6-10-20(32-2)21(19)33-23(25)26)16-11-13-18(14-12-16)29-24(31)28-17-7-4-3-5-8-17/h3-15,23H,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyZWZFKCZZFZGYLW-UHFFFAOYSA-N
XLogP5.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326258
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide (CID 55962117) is 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The InChIKey is ZWZFKCZZFZGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4/c1-15(27-22(30)19-9-6-10-20(32-2)21(19)33-23(25)26)16-11-13-18(14-12-16)29-24(31)28-17-7-4-3-5-8-17/h3-15,23H,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide has a molecular weight of 455.46 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 55962117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).