[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid

C16H15Cl2NO3 — CID 90341642

IUPAC[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
SMILESC[C@@](NC(=O)O)(c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO3/c1-16(19-15(21)22,11-5-7-12(17)8-6-11)14(20)10-3-2-4-13(18)9-10/h2-9,14,19-20H,1H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyZZSGIGKTULBQNQ-GDBMZVCRSA-N
MW340.21 g/mol
LogP4.21
Rot. Bonds4

About [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid

[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid (PubChem CID 90341642) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
PubChem CID90341642
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
SMILESC[C@@](NC(=O)O)(c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO3/c1-16(19-15(21)22,11-5-7-12(17)8-6-11)14(20)10-3-2-4-13(18)9-10/h2-9,14,19-20H,1H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyZZSGIGKTULBQNQ-GDBMZVCRSA-N
XLogP4.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
CID 69109296
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol
CID 76834428
(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentanoic acid
CID 129154293
tert-butyl N-[(1S,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
CID 89490745
3-(3-chlorophenyl)butanoic acid
CID 71683749
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide
CID 155532464
2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
CID 156883833
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid (CID 90341642) is [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid is C[C@@](NC(=O)O)(c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid?
The InChIKey is ZZSGIGKTULBQNQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-16(19-15(21)22,11-5-7-12(17)8-6-11)14(20)10-3-2-4-13(18)9-10/h2-9,14,19-20H,1H3,(H,21,22)/t14-,16-/m1/s1.
What are the key properties of [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid?
[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid has a molecular weight of 340.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 90341642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).