(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate

C19H20ClNO4 — CID 10473775

IUPAC(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
SMILESCC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H20ClNO4/c1-19(2)23-12-15(17(25-19)13-8-4-3-5-9-13)21-18(22)24-16-11-7-6-10-14(16)20/h3-11,15,17H,12H2,1-2H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyQMOLEWDTCHZMMP-RDJZCZTQSA-N
MW361.83 g/mol
LogP4.32
Rot. Bonds3

About (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate

(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate (PubChem CID 10473775) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
PubChem CID10473775
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
SMILESCC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H20ClNO4/c1-19(2)23-12-15(17(25-19)13-8-4-3-5-9-13)21-18(22)24-16-11-7-6-10-14(16)20/h3-11,15,17H,12H2,1-2H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyQMOLEWDTCHZMMP-RDJZCZTQSA-N
XLogP4.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate?
The IUPAC name of (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate (CID 10473775) is (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate is CC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1.
What is the InChIKey of (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate?
The InChIKey is QMOLEWDTCHZMMP-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-19(2)23-12-15(17(25-19)13-8-4-3-5-9-13)21-18(22)24-16-11-7-6-10-14(16)20/h3-11,15,17H,12H2,1-2H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate?
(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate has a molecular weight of 361.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 10473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).