N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide

C20H17ClN2O4 — CID 7200167

IUPACN-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C20H17ClN2O4/c21-12-5-3-6-13(11-12)22-20(25)18-17(14-7-1-2-8-15(14)27-18)23-19(24)16-9-4-10-26-16/h1-3,5-8,11,16H,4,9-10H2,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyQBJJVUZAIPFLDR-MRXNPFEDSA-N
MW384.82 g/mol
LogP4.46
Rot. Bonds4

About N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide

N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 7200167) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
PubChem CID7200167
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C20H17ClN2O4/c21-12-5-3-6-13(11-12)22-20(25)18-17(14-7-1-2-8-15(14)27-18)23-19(24)16-9-4-10-26-16/h1-3,5-8,11,16H,4,9-10H2,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyQBJJVUZAIPFLDR-MRXNPFEDSA-N
XLogP4.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 41106040
N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 30749808
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110827753
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
N-(3-chlorophenyl)-3-[[2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110829261

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide (CID 7200167) is N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is QBJJVUZAIPFLDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-12-5-3-6-13(11-12)22-20(25)18-17(14-7-1-2-8-15(14)27-18)23-19(24)16-9-4-10-26-16/h1-3,5-8,11,16H,4,9-10H2,(H,22,25)(H,23,24)/t16-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide?
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7200167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).