ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate

C12H15ClN2O3 — CID 2206953

IUPACethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-14-12(17)15-10-6-4-5-9(13)8(10)2/h4-6H,3,7H2,1-2H3,(H2,14,15,17)
InChIKeyAXHQMJYWNUZKDI-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.33
Rot. Bonds4

About ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate

ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate (PubChem CID 2206953) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate
PubChem CID2206953
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-14-12(17)15-10-6-4-5-9(13)8(10)2/h4-6H,3,7H2,1-2H3,(H2,14,15,17)
InChIKeyAXHQMJYWNUZKDI-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 939456
N-(3-chloro-2-methylphenyl)-N'-cyclohexylurea
CID 897859
3-(5-Chloro-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 340904
Ethyl [(5-chloro-2-methylphenyl)amino](oxo)acetate
CID 2268211
Pentyl-carbamic acid 2-[3-(3-chloro-phenyl)-ureido]-ethyl ester
CID 11484242
2-{[(3-Chlorophenyl)carbamoyl]amino}acetic acid
CID 303775
3-(3-Chloro-2-methylphenyl)-1,1-dimethylurea
CID 551914
1-(3-Chloro-4-methylphenyl)-3-ethylurea
CID 3341516
2-{[(3-Chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}propanoic acid
CID 23645822
(S)-2-[3-(5-Chloro-2-methyl-phenyl)-ureido]-3-methyl-butyric acid methyl ester
CID 938943
(S)-2-[3-(5-Chloro-2-methyl-phenyl)-ureido]-propionic acid methyl ester
CID 942467
(S)-methyl 2-(3-(2-ethylphenyl)ureido)propanoate
CID 5389773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate (CID 2206953) is ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate?
The InChIKey is AXHQMJYWNUZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-14-12(17)15-10-6-4-5-9(13)8(10)2/h4-6H,3,7H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate?
ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate has a molecular weight of 270.72 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-2-methylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 2206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).