(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate

C14H18ClNO3 — CID 175282842

IUPAC(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
SMILESCC(=O)c1ccc(Cl)c(COC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H18ClNO3/c1-9(17)10-5-6-12(15)11(7-10)8-19-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyRFSDSVKOOAECCO-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.57
Rot. Bonds3

About (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate

(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate (PubChem CID 175282842) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
PubChem CID175282842
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
SMILESCC(=O)c1ccc(Cl)c(COC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H18ClNO3/c1-9(17)10-5-6-12(15)11(7-10)8-19-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyRFSDSVKOOAECCO-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-5-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methyl N-methylcarbamate
CID 154075271
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
1-[4-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
tert-butyl N-(5-acetyl-2-chlorophenoxy)carbamate;methyl N-(5-acetyl-2-chlorophenoxy)carbamate
CID 157292901
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042
(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate
CID 175480142
4-chloro-3-ethylbenzoic acid
CID 21412279
[3-fluoro-4-(hydroxymethyl)phenyl]methyl N-tert-butylcarbamate
CID 174615925
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate?
The IUPAC name of (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate (CID 175282842) is (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate?
The canonical SMILES for (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate is CC(=O)c1ccc(Cl)c(COC(=O)NC(C)(C)C)c1.
What is the InChIKey of (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate?
The InChIKey is RFSDSVKOOAECCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9(17)10-5-6-12(15)11(7-10)8-19-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate?
(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate has a molecular weight of 283.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 175282842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).