2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid

C13H14Cl2N2O4 — CID 66434437

IUPAC2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-9(7-17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19)
InChIKeyGVSXEURNKKHAJQ-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66434437) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66434437
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-9(7-17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19)
InChIKeyGVSXEURNKKHAJQ-UHFFFAOYSA-N
XLogP2.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066
(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid
CID 174210432
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66434437) is 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is GVSXEURNKKHAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-9(7-17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 333.17 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).