(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide

C19H21Cl2N3O3 — CID 164639169

IUPAC(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide
SMILESC[C@](O)(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-19(27,12-2-4-13(20)5-3-12)18(26)23-15-6-8-24(9-7-15)17(25)16-10-14(21)11-22-16/h2-5,10-11,15,22,27H,6-9H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyRBOFNGNPWTXPNM-LJQANCHMSA-N
MW410.30 g/mol
LogP2.95
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide

(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide (PubChem CID 164639169) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide
PubChem CID164639169
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide
SMILESC[C@](O)(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-19(27,12-2-4-13(20)5-3-12)18(26)23-15-6-8-24(9-7-15)17(25)16-10-14(21)11-22-16/h2-5,10-11,15,22,27H,6-9H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyRBOFNGNPWTXPNM-LJQANCHMSA-N
XLogP2.95
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide (CID 164639169) is (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide is C[C@](O)(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide?
The InChIKey is RBOFNGNPWTXPNM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-19(27,12-2-4-13(20)5-3-12)18(26)23-15-6-8-24(9-7-15)17(25)16-10-14(21)11-22-16/h2-5,10-11,15,22,27H,6-9H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide?
(2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide has a molecular weight of 410.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-2-hydroxypropanamide is sourced from PubChem (CID 164639169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).