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

C19H20ClNO4 — CID 7729394

IUPAC[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
SMILESC[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-14(19(23)21-17-11-6-5-10-16(17)20)25-18(22)12-7-13-24-15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyVWHXLYGERCTPON-CQSZACIVSA-N
MW361.82 g/mol
LogP4.07
Rot. Bonds8

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

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate (PubChem CID 7729394) has the molecular formula C19H20ClNO4 and a molecular weight of 361.82 g/mol. Its IUPAC name is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate.

Molecular Properties

Compound Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
PubChem CID7729394
Molecular FormulaC19H20ClNO4
Molecular Weight361.82 g/mol
Exact Mass361.11
IUPAC Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
SMILESC[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-14(19(23)21-17-11-6-5-10-16(17)20)25-18(22)12-7-13-24-15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyVWHXLYGERCTPON-CQSZACIVSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139775
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139859
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55999257
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55422486
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate
CID 8738170

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate?
The IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate (CID 7729394) is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate.
What is the SMILES notation for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate?
The canonical SMILES for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate is C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate?
The InChIKey is VWHXLYGERCTPON-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-14(19(23)21-17-11-6-5-10-16(17)20)25-18(22)12-7-13-24-15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate?
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate has a molecular weight of 361.82 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate is sourced from PubChem (CID 7729394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).