N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide

C23H21F2N3O3 — CID 24533543

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H21F2N3O3/c24-22(25)31-20-11-10-19(13-18(20)12-15-4-2-1-3-5-15)28-21(29)17-8-6-16(7-9-17)14-27-23(26)30/h1-11,13,22H,12,14H2,(H,28,29)(H3,26,27,30)
InChIKeyHYSLFHUGQUOYPW-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.30
Rot. Bonds8

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide (PubChem CID 24533543) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
PubChem CID24533543
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H21F2N3O3/c24-22(25)31-20-11-10-19(13-18(20)12-15-4-2-1-3-5-15)28-21(29)17-8-6-16(7-9-17)14-27-23(26)30/h1-11,13,22H,12,14H2,(H,28,29)(H3,26,27,30)
InChIKeyHYSLFHUGQUOYPW-UHFFFAOYSA-N
XLogP4.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)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-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24533546
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 24624798
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24668099

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide (CID 24533543) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The InChIKey is HYSLFHUGQUOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c24-22(25)31-20-11-10-19(13-18(20)12-15-4-2-1-3-5-15)28-21(29)17-8-6-16(7-9-17)14-27-23(26)30/h1-11,13,22H,12,14H2,(H,28,29)(H3,26,27,30).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide has a molecular weight of 425.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide is sourced from PubChem (CID 24533543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).