3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide

C19H23ClN2O3 — CID 91792919

IUPAC3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H23ClN2O3/c1-24-18-12-25-11-10-17(18)22-19(23)9-7-15-6-8-16(21-15)13-2-4-14(20)5-3-13/h2-6,8,17-18,21H,7,9-12H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyRYRLFCGENDIBJT-QZTJIDSGSA-N
MW362.86 g/mol
LogP3.19
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide

3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide (PubChem CID 91792919) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide
PubChem CID91792919
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H23ClN2O3/c1-24-18-12-25-11-10-17(18)22-19(23)9-7-15-6-8-16(21-15)13-2-4-14(20)5-3-13/h2-6,8,17-18,21H,7,9-12H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyRYRLFCGENDIBJT-QZTJIDSGSA-N
XLogP3.19
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide (CID 91792919) is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide is CO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide?
The InChIKey is RYRLFCGENDIBJT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-18-12-25-11-10-17(18)22-19(23)9-7-15-6-8-16(21-15)13-2-4-14(20)5-3-13/h2-6,8,17-18,21H,7,9-12H2,1H3,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide?
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]propanamide is sourced from PubChem (CID 91792919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).