N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

C21H18F2N2O4 — CID 42007354

IUPACN-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H18F2N2O4/c1-13-4-7-15(11-17(13)25-20(27)18-3-2-10-28-18)19(26)24-12-14-5-8-16(9-6-14)29-21(22)23/h2-11,21H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyGGQOUAXAOBWVAP-UHFFFAOYSA-N
MW400.38 g/mol
LogP4.37
Rot. Bonds7

About N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 42007354) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID42007354
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC NameN-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H18F2N2O4/c1-13-4-7-15(11-17(13)25-20(27)18-3-2-10-28-18)19(26)24-12-14-5-8-16(9-6-14)29-21(22)23/h2-11,21H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyGGQOUAXAOBWVAP-UHFFFAOYSA-N
XLogP4.37
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 55738794
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55795833
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4795361

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 42007354) is N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is GGQOUAXAOBWVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-13-4-7-15(11-17(13)25-20(27)18-3-2-10-28-18)19(26)24-12-14-5-8-16(9-6-14)29-21(22)23/h2-11,21H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 42007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).