[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate

C16H15Cl2NO3 — CID 27161633

IUPAC[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@H](CCl)COc1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c17-10-15(11-21-14-4-2-1-3-5-14)22-16(20)19-13-8-6-12(18)7-9-13/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1
InChIKeyDXFSFVDJPOLCRF-OAHLLOKOSA-N
MW340.21 g/mol
LogP4.57
Rot. Bonds6

About [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate

[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate (PubChem CID 27161633) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
PubChem CID27161633
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@H](CCl)COc1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c17-10-15(11-21-14-4-2-1-3-5-14)22-16(20)19-13-8-6-12(18)7-9-13/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1
InChIKeyDXFSFVDJPOLCRF-OAHLLOKOSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
CID 3048741
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
[1-(3-methylbuta-1,3-dien-2-yloxy)-3-phenoxypropan-2-yl] N-[4-[[4-[[1-(3-methylbuta-1,3-dien-2-yloxy)-3-phenoxypropan-2-yl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 89215929
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139859
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
N-(4-chlorophenyl)-2-(2-phenoxyethylamino)acetamide
CID 60647399
[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
CID 102438515
[2-[[4-methyl-3-[[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl]oxycarbonylamino]phenyl]carbamoyloxy]-3-phenoxypropyl] 2-methylprop-2-enoate
CID 89215935
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate (CID 27161633) is [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)O[C@H](CCl)COc1ccccc1.
What is the InChIKey of [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate?
The InChIKey is DXFSFVDJPOLCRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-10-15(11-21-14-4-2-1-3-5-14)22-16(20)19-13-8-6-12(18)7-9-13/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1.
What are the key properties of [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate?
[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate has a molecular weight of 340.21 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 27161633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).