2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate

C12H15ClN2O4 — CID 108571703

IUPAC2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccccc1O)OCCCl
InChIInChI=1S/C12H15ClN2O4/c13-5-8-19-12(18)15-7-6-14-11(17)9-3-1-2-4-10(9)16/h1-4,16H,5-8H2,(H,14,17)(H,15,18)
InChIKeyJNHJMRPFAPSWFN-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.09
Rot. Bonds6

About 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate

2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (PubChem CID 108571703) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
PubChem CID108571703
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccccc1O)OCCCl
InChIInChI=1S/C12H15ClN2O4/c13-5-8-19-12(18)15-7-6-14-11(17)9-3-1-2-4-10(9)16/h1-4,16H,5-8H2,(H,14,17)(H,15,18)
InChIKeyJNHJMRPFAPSWFN-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571704
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-chloroethyl 2-hydroxybenzoate
CID 13052757
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
CID 108571269
2-[(2-hydroxybenzoyl)amino]ethyl nitrate
CID 23176246
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (CID 108571703) is 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is O=C(NCCNC(=O)c1ccccc1O)OCCCl.
What is the InChIKey of 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The InChIKey is JNHJMRPFAPSWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c13-5-8-19-12(18)15-7-6-14-11(17)9-3-1-2-4-10(9)16/h1-4,16H,5-8H2,(H,14,17)(H,15,18).
What are the key properties of 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate has a molecular weight of 286.72 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).