3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide

C23H21F2N3O3 — CID 55738794

IUPAC3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N3O3/c1-15-7-10-17(21(29)27-18-5-3-2-4-6-18)13-20(15)28-23(30)26-14-16-8-11-19(12-9-16)31-22(24)25/h2-13,22H,14H2,1H3,(H,27,29)(H2,26,28,30)
InChIKeyZPBMTPZMCNWSHY-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.17
Rot. Bonds7

About 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide

3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide (PubChem CID 55738794) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
PubChem CID55738794
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N3O3/c1-15-7-10-17(21(29)27-18-5-3-2-4-6-18)13-20(15)28-23(30)26-14-16-8-11-19(12-9-16)31-22(24)25/h2-13,22H,14H2,1H3,(H,27,29)(H2,26,28,30)
InChIKeyZPBMTPZMCNWSHY-UHFFFAOYSA-N
XLogP5.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 55792899
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-methyl-3-nitrophenyl)urea
CID 55696927
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
3-[3-[acetyl(propan-2-yl)amino]propylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 47039647
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide (CID 55738794) is 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide?
The InChIKey is ZPBMTPZMCNWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-15-7-10-17(21(29)27-18-5-3-2-4-6-18)13-20(15)28-23(30)26-14-16-8-11-19(12-9-16)31-22(24)25/h2-13,22H,14H2,1H3,(H,27,29)(H2,26,28,30).
What are the key properties of 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide?
3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide has a molecular weight of 425.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 55738794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).