tert-butyl N-(2-chlorobenzoyl)carbamate

C12H14ClNO3 — CID 140878254

IUPACtert-butyl N-(2-chlorobenzoyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-12(2,3)17-11(16)14-10(15)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUZTRUVGVPDQVFK-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl N-(2-chlorobenzoyl)carbamate

tert-butyl N-(2-chlorobenzoyl)carbamate (PubChem CID 140878254) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is tert-butyl N-(2-chlorobenzoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chlorobenzoyl)carbamate
PubChem CID140878254
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Nametert-butyl N-(2-chlorobenzoyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-12(2,3)17-11(16)14-10(15)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUZTRUVGVPDQVFK-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[4-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916913
tert-butyl N-[(2R)-3-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl]carbamate
CID 97012231
tert-butyl N-[(2R)-3-[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl]carbamate
CID 97012230
tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate
CID 170155819
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
N-carbamothioyl-2-chlorobenzamide
CID 3909253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chlorobenzoyl)carbamate?
The IUPAC name of tert-butyl N-(2-chlorobenzoyl)carbamate (CID 140878254) is tert-butyl N-(2-chlorobenzoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chlorobenzoyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chlorobenzoyl)carbamate is CC(C)(C)OC(=O)NC(=O)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-(2-chlorobenzoyl)carbamate?
The InChIKey is UZTRUVGVPDQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-12(2,3)17-11(16)14-10(15)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-(2-chlorobenzoyl)carbamate?
tert-butyl N-(2-chlorobenzoyl)carbamate has a molecular weight of 255.70 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chlorobenzoyl)carbamate is sourced from PubChem (CID 140878254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).