N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C20H15FN6O3 — CID 167909853

IUPACN-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15FN6O3/c1-11-4-5-13(10-15(11)22-20(29)17-3-2-8-30-17)19(28)23-16-9-12(6-7-14(16)21)18-24-26-27-25-18/h2-10H,1H3,(H,22,29)(H,23,28)(H,24,25,26,27)
InChIKeyDQVYMZYQQRTNQM-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.41
Rot. Bonds5

About N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 167909853) has the molecular formula C20H15FN6O3 and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID167909853
Molecular FormulaC20H15FN6O3
Molecular Weight406.38 g/mol
Exact Mass406.12
IUPAC NameN-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15FN6O3/c1-11-4-5-13(10-15(11)22-20(29)17-3-2-8-30-17)19(28)23-16-9-12(6-7-14(16)21)18-24-26-27-25-18/h2-10H,1H3,(H,22,29)(H,23,28)(H,24,25,26,27)
InChIKeyDQVYMZYQQRTNQM-UHFFFAOYSA-N
XLogP3.41
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide 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-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4795361
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 167909853) is N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DQVYMZYQQRTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O3/c1-11-4-5-13(10-15(11)22-20(29)17-3-2-8-30-17)19(28)23-16-9-12(6-7-14(16)21)18-24-26-27-25-18/h2-10H,1H3,(H,22,29)(H,23,28)(H,24,25,26,27).
What are the key properties of N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 406.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 167909853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).