propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate

C13H18ClNO3 — CID 174972525

IUPACpropyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
SMILESCCCOC(=O)NC[C@@H](O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-2-7-18-13(17)15-9-11(16)8-10-5-3-4-6-12(10)14/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyZZYJDKFQTQMMLY-NSHDSACASA-N
MW271.74 g/mol
LogP2.38
Rot. Bonds6

About propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate

propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate (PubChem CID 174972525) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Namepropyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
PubChem CID174972525
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namepropyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
SMILESCCCOC(=O)NC[C@@H](O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-2-7-18-13(17)15-9-11(16)8-10-5-3-4-6-12(10)14/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyZZYJDKFQTQMMLY-NSHDSACASA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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propyl N-(2-methylpropyl)carbamate
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2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102696
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
CID 6734048
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
CID 174550772
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
CID 19776566
ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
CID 6733974

Frequently Asked Questions

What is the IUPAC name of propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate?
The IUPAC name of propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate (CID 174972525) is propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate?
The canonical SMILES for propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate is CCCOC(=O)NC[C@@H](O)Cc1ccccc1Cl.
What is the InChIKey of propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate?
The InChIKey is ZZYJDKFQTQMMLY-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-7-18-13(17)15-9-11(16)8-10-5-3-4-6-12(10)14/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate?
propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate has a molecular weight of 271.74 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 174972525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).