(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate

C12H14ClNO4 — CID 139815315

IUPAC(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate
SMILESCC(=O)NCC(O)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(15)14-6-11(16)7-18-12(17)9-2-4-10(13)5-3-9/h2-5,11,16H,6-7H2,1H3,(H,14,15)
InChIKeyKFONZLVBSUWKEO-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.99
Rot. Bonds5

About (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate

(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate (PubChem CID 139815315) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate
PubChem CID139815315
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate
SMILESCC(=O)NCC(O)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(15)14-6-11(16)7-18-12(17)9-2-4-10(13)5-3-9/h2-5,11,16H,6-7H2,1H3,(H,14,15)
InChIKeyKFONZLVBSUWKEO-UHFFFAOYSA-N
XLogP0.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
2,3-dihydroxypropyl 4-propan-2-ylbenzoate
CID 155624588
(4-methoxy-2-methylbutyl) 4-chlorobenzoate
CID 91716202
[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
CID 19753341
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
[(1S)-2-acetamido-1-(4-chlorophenyl)ethyl] acetate
CID 14954517
butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
CID 145027142
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate?
The IUPAC name of (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate (CID 139815315) is (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate.
What is the SMILES notation for (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate?
The canonical SMILES for (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate is CC(=O)NCC(O)COC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate?
The InChIKey is KFONZLVBSUWKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-8(15)14-6-11(16)7-18-12(17)9-2-4-10(13)5-3-9/h2-5,11,16H,6-7H2,1H3,(H,14,15).
What are the key properties of (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate?
(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate has a molecular weight of 271.70 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-2-hydroxypropyl) 4-chlorobenzoate is sourced from PubChem (CID 139815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).