2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate

C14H17Cl2FN2O3 — CID 143553482

IUPAC2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(F)C1.Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2.C7H11FN2O3/c1-5-2-3-6(8)4-7(5)9;1-13-6(11)2-9-7(12)10-3-5(8)4-10/h2-4H,1H3;5H,2-4H2,1H3,(H,9,12)
InChIKeyIDZZIPPPHFPHKD-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.82
Rot. Bonds2

About 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate

2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate (PubChem CID 143553482) has the molecular formula C14H17Cl2FN2O3 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Name2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate
PubChem CID143553482
Molecular FormulaC14H17Cl2FN2O3
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(F)C1.Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2.C7H11FN2O3/c1-5-2-3-6(8)4-7(5)9;1-13-6(11)2-9-7(12)10-3-5(8)4-10/h2-4H,1H3;5H,2-4H2,1H3,(H,9,12)
InChIKeyIDZZIPPPHFPHKD-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 70748143
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
3-fluoro-N-(2-methoxy-2-methylpropyl)azetidine-1-carboxamide
CID 154745621
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
methyl 2-[[2-(4-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50947815
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
N-[2-[4-[4-chloro-2-(3-pyrrolidin-1-ylpropyl)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide;2,4-dichloro-1-methylbenzene
CID 143553451
2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene
CID 143745404
N-[3-(4-chloro-2-methylphenoxy)propyl]-3-hydroxypiperidine-1-carboxamide
CID 110904200
methyl (2S,4S)-4-chloro-1-(2,4-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 1480329

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate?
The IUPAC name of 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate (CID 143553482) is 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate.
What is the SMILES notation for 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate?
The canonical SMILES for 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate is COC(=O)CNC(=O)N1CC(F)C1.Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate?
The InChIKey is IDZZIPPPHFPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.C7H11FN2O3/c1-5-2-3-6(8)4-7(5)9;1-13-6(11)2-9-7(12)10-3-5(8)4-10/h2-4H,1H3;5H,2-4H2,1H3,(H,9,12).
What are the key properties of 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate?
2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate has a molecular weight of 351.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-methylbenzene;methyl 2-[(3-fluoroazetidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 143553482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).