(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide

C18H19ClN2O3 — CID 97117715

IUPAC(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11-3-8-15(20-12(2)22)16(9-11)21-18(24)10-17(23)13-4-6-14(19)7-5-13/h3-9,17,23H,10H2,1-2H3,(H,20,22)(H,21,24)/t17-/m1/s1
InChIKeyKVBQTQPTWXCYNC-QGZVFWFLSA-N
MW346.81 g/mol
LogP3.67
Rot. Bonds5

About (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide

(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide (PubChem CID 97117715) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
PubChem CID97117715
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11-3-8-15(20-12(2)22)16(9-11)21-18(24)10-17(23)13-4-6-14(19)7-5-13/h3-9,17,23H,10H2,1-2H3,(H,20,22)(H,21,24)/t17-/m1/s1
InChIKeyKVBQTQPTWXCYNC-QGZVFWFLSA-N
XLogP3.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
CID 97057298
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 110026063
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The IUPAC name of (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide (CID 97117715) is (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The canonical SMILES for (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide is CC(=O)Nc1ccc(C)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The InChIKey is KVBQTQPTWXCYNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-3-8-15(20-12(2)22)16(9-11)21-18(24)10-17(23)13-4-6-14(19)7-5-13/h3-9,17,23H,10H2,1-2H3,(H,20,22)(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide has a molecular weight of 346.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 97117715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).