N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide

C19H14ClFN2O3 — CID 7200191

IUPACN-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)C1CC1
InChIInChI=1S/C19H14ClFN2O3/c20-13-9-11(7-8-14(13)21)22-19(25)17-16(23-18(24)10-5-6-10)12-3-1-2-4-15(12)26-17/h1-4,7-10H,5-6H2,(H,22,25)(H,23,24)
InChIKeyUJWCQQBSOBHPBU-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.83
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide (PubChem CID 7200191) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
PubChem CID7200191
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)C1CC1
InChIInChI=1S/C19H14ClFN2O3/c20-13-9-11(7-8-14(13)21)22-19(25)17-16(23-18(24)10-5-6-10)12-3-1-2-4-15(12)26-17/h1-4,7-10H,5-6H2,(H,22,25)(H,23,24)
InChIKeyUJWCQQBSOBHPBU-UHFFFAOYSA-N
XLogP4.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160097
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide (CID 7200191) is N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)C1CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide?
The InChIKey is UJWCQQBSOBHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c20-13-9-11(7-8-14(13)21)22-19(25)17-16(23-18(24)10-5-6-10)12-3-1-2-4-15(12)26-17/h1-4,7-10H,5-6H2,(H,22,25)(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7200191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).