(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H15ClFN3O2 — CID 51497719

IUPAC(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C19H15ClFN3O2/c20-14-3-6-17-13(7-14)8-18(26-17)19(25)23-16-9-22-24(11-16)10-12-1-4-15(21)5-2-12/h1-7,9,11,18H,8,10H2,(H,23,25)/t18-/m1/s1
InChIKeySLKBVFWSQZOLCE-GOSISDBHSA-N
MW371.80 g/mol
LogP3.67
Rot. Bonds4

About (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51497719) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51497719
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C19H15ClFN3O2/c20-14-3-6-17-13(7-14)8-18(26-17)19(25)23-16-9-22-24(11-16)10-12-1-4-15(21)5-2-12/h1-7,9,11,18H,8,10H2,(H,23,25)/t18-/m1/s1
InChIKeySLKBVFWSQZOLCE-GOSISDBHSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-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

(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96519105
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 126779485
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17446513
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51497719) is (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)[C@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SLKBVFWSQZOLCE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-14-3-6-17-13(7-14)8-18(26-17)19(25)23-16-9-22-24(11-16)10-12-1-4-15(21)5-2-12/h1-7,9,11,18H,8,10H2,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51497719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).