ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate

C11H15ClN2O2 — CID 61061554

IUPACethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-4-16-11(15)13-9-7-5-6-8(12)10(9)14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyXGDORXHAPRXFHR-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.97
Rot. Bonds3

About ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate

ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate (PubChem CID 61061554) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
PubChem CID61061554
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nameethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-4-16-11(15)13-9-7-5-6-8(12)10(9)14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyXGDORXHAPRXFHR-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[3-chloro-2-(dimethylamino)anilino]-3-oxopropyl]carbamate
CID 60558000
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583
N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103609
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate (CID 61061554) is ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate is CCOC(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate?
The InChIKey is XGDORXHAPRXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-4-16-11(15)13-9-7-5-6-8(12)10(9)14(2)3/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate?
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate has a molecular weight of 242.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 61061554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).