N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C21H18FN3O5 — CID 4795361

IUPACN-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H18FN3O5/c1-13-4-5-14(11-17(13)23-21(28)18-3-2-10-29-18)20(27)25-24-19(26)12-30-16-8-6-15(22)7-9-16/h2-11H,12H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyMXNVLRAOPCAFDM-UHFFFAOYSA-N
MW411.39 g/mol
LogP2.82
Rot. Bonds6

About N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 4795361) has the molecular formula C21H18FN3O5 and a molecular weight of 411.39 g/mol. Its IUPAC name is N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID4795361
Molecular FormulaC21H18FN3O5
Molecular Weight411.39 g/mol
Exact Mass411.12
IUPAC NameN-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H18FN3O5/c1-13-4-5-14(11-17(13)23-21(28)18-3-2-10-29-18)20(27)25-24-19(26)12-30-16-8-6-15(22)7-9-16/h2-11H,12H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyMXNVLRAOPCAFDM-UHFFFAOYSA-N
XLogP2.82
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55582804
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803837
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[5-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 2519559
N-[5-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4875172
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 4795361) is N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is MXNVLRAOPCAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O5/c1-13-4-5-14(11-17(13)23-21(28)18-3-2-10-29-18)20(27)25-24-19(26)12-30-16-8-6-15(22)7-9-16/h2-11H,12H2,1H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 4795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).