(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H21ClN2O2 — CID 39126898

IUPAC(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(24-18-7-3-2-6-17(18)20)19(23)21-15-8-10-16(11-9-15)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyHDYCKMOYXVYQMW-CQSZACIVSA-N
MW344.84 g/mol
LogP4.35
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 39126898) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID39126898
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(24-18-7-3-2-6-17(18)20)19(23)21-15-8-10-16(11-9-15)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyHDYCKMOYXVYQMW-CQSZACIVSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
(2S)-2-(2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100505519
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2R)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 1093478
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 39126898) is (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is HDYCKMOYXVYQMW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(24-18-7-3-2-6-17(18)20)19(23)21-15-8-10-16(11-9-15)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 39126898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).