methyl 2-[(3-chlorobenzoyl)amino]acetate

C10H10ClNO3 — CID 669189

IUPACmethyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDQTCDUUSFLMZQJ-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.24
Rot. Bonds3

About methyl 2-[(3-chlorobenzoyl)amino]acetate

methyl 2-[(3-chlorobenzoyl)amino]acetate (PubChem CID 669189) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 2-[(3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chlorobenzoyl)amino]acetate
PubChem CID669189
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDQTCDUUSFLMZQJ-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103933438
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103802920
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chlorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(3-chlorobenzoyl)amino]acetate (CID 669189) is methyl 2-[(3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-chlorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-chlorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[(3-chlorobenzoyl)amino]acetate?
The InChIKey is DQTCDUUSFLMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(3-chlorobenzoyl)amino]acetate?
methyl 2-[(3-chlorobenzoyl)amino]acetate has a molecular weight of 227.65 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 669189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).