(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide

C22H20ClNO3 — CID 97282351

IUPAC(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O
InChIInChI=1S/C22H20ClNO3/c23-20-9-5-4-8-18(20)19(15-6-2-1-3-7-15)13-22(27)24-14-16-10-11-17(25)12-21(16)26/h1-12,19,25-26H,13-14H2,(H,24,27)/t19-/m1/s1
InChIKeyDUJPPPDMYSVSAJ-LJQANCHMSA-N
MW381.86 g/mol
LogP4.59
Rot. Bonds6

About (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide

(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 97282351) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
PubChem CID97282351
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O
InChIInChI=1S/C22H20ClNO3/c23-20-9-5-4-8-18(20)19(15-6-2-1-3-7-15)13-22(27)24-14-16-10-11-17(25)12-21(16)26/h1-12,19,25-26H,13-14H2,(H,24,27)/t19-/m1/s1
InChIKeyDUJPPPDMYSVSAJ-LJQANCHMSA-N
XLogP4.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 97276008
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol
CID 28649171
(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342761
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 77080512

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide (CID 97282351) is (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide is O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is DUJPPPDMYSVSAJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20ClNO3/c23-20-9-5-4-8-18(20)19(15-6-2-1-3-7-15)13-22(27)24-14-16-10-11-17(25)12-21(16)26/h1-12,19,25-26H,13-14H2,(H,24,27)/t19-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide?
(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 381.86 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 97282351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).