[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate

C18H18ClNO4 — CID 9139859

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-13(18(22)20-15-9-7-14(19)8-10-15)24-17(21)11-12-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyQPIKNQDYKGYOIK-CYBMUJFWSA-N
MW347.80 g/mol
LogP3.68
Rot. Bonds7

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate (PubChem CID 9139859) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
PubChem CID9139859
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-13(18(22)20-15-9-7-14(19)8-10-15)24-17(21)11-12-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyQPIKNQDYKGYOIK-CYBMUJFWSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316402
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139775
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316551
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenoxypropanoate
CID 9139857
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189737
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521332
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 16535238
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199740

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate (CID 9139859) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate is C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The InChIKey is QPIKNQDYKGYOIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-13(18(22)20-15-9-7-14(19)8-10-15)24-17(21)11-12-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate has a molecular weight of 347.80 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate is sourced from PubChem (CID 9139859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).