3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate

C19H20ClNO3 — CID 146615708

IUPAC3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate
SMILESC[C@@H](C(=O)OCCCNCl)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20ClNO3/c1-14(19(23)24-12-6-11-21-20)16-9-5-10-17(13-16)18(22)15-7-3-2-4-8-15/h2-5,7-10,13-14,21H,6,11-12H2,1H3/t14-/m1/s1
InChIKeyZVUQZBFXZGPNAZ-CQSZACIVSA-N
MW345.83 g/mol
LogP3.70
Rot. Bonds8

About 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate

3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate (PubChem CID 146615708) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate.

Molecular Properties

Compound Name3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate
PubChem CID146615708
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate
SMILESC[C@@H](C(=O)OCCCNCl)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20ClNO3/c1-14(19(23)24-12-6-11-21-20)16-9-5-10-17(13-16)18(22)15-7-3-2-4-8-15/h2-5,7-10,13-14,21H,6,11-12H2,1H3/t14-/m1/s1
InChIKeyZVUQZBFXZGPNAZ-CQSZACIVSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 101053199
aminoazanium;3-hydroxypropyl 2-(3-benzoylphenyl)propanoate
CID 143520637
6-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyhexanoic acid
CID 124835090
3-hydroxybutyl 2-(3-benzoylphenyl)propanoate
CID 129318298
2-(butanoylamino)ethyl 2-(3-benzoylphenyl)propanoate
CID 157445018
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
CID 124835055
2-[2-[2-[2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetyl]oxyethoxy]-2-oxoethoxy]ethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 124834995
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
[2-[2-[2-[2-(3-benzoylphenyl)propanoyloxy]acetyl]oxyethoxy]-2-oxoethyl] 2-(4-benzoylphenyl)propanoate
CID 132939559
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-(3-benzoylphenyl)propanoate
CID 155458267
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate?
The IUPAC name of 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate (CID 146615708) is 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate.
What is the SMILES notation for 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate?
The canonical SMILES for 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate is C[C@@H](C(=O)OCCCNCl)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate?
The InChIKey is ZVUQZBFXZGPNAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-14(19(23)24-12-6-11-21-20)16-9-5-10-17(13-16)18(22)15-7-3-2-4-8-15/h2-5,7-10,13-14,21H,6,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate?
3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate has a molecular weight of 345.83 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)propyl (2R)-2-(3-benzoylphenyl)propanoate is sourced from PubChem (CID 146615708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).