2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide

C39H52Cl4N5O10P — CID 173260360

About 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide (PubChem CID 173260360) has the molecular formula C39H52Cl4N5O10P and a molecular weight of 923.66 g/mol. Its IUPAC name is 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

• Compound Name: 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide
• PubChem CID: 173260360
• Molecular Formula: C39H52Cl4N5O10P
• Molecular Weight: 923.66 g/mol
• Exact Mass: 921.22
• IUPAC Name: 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide
• SMILES: C=CCN(CC=C)C(=O)C(Cl)Cl.CCc1cccc(CC)c1N(COC)C(=O)CCl.CP(=O)(O)CCC(N)C(=O)O.Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl
• InChI: InChI=1S/C14H20ClNO2.C12H9ClN2O3.C8H11Cl2NO.C5H12NO4P/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17;1-3-5-11(6-4-2)8(12)7(9)10;1-11(9,10)3-2-4(6)5(7)8/h6-8H,4-5,9-10H2,1-3H3;1-7H,14H2;3-4,7H,1-2,5-6H2;4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
• InChIKey: LKBDRHARWXUHLZ-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 228.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.66
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide?

The IUPAC name of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide (CID 173260360) is 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide.

What is the SMILES notation for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide?

The canonical SMILES for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(Cl)Cl.CCc1cccc(CC)c1N(COC)C(=O)CCl.CP(=O)(O)CCC(N)C(=O)O.Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl.

What is the InChIKey of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide?

The InChIKey is LKBDRHARWXUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.C12H9ClN2O3.C8H11Cl2NO.C5H12NO4P/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17;1-3-5-11(6-4-2)8(12)7(9)10;1-11(9,10)3-2-4(6)5(7)8/h6-8H,4-5,9-10H2,1-3H3;1-7H,14H2;3-4,7H,1-2,5-6H2;4H,2-3,6H2,1H3,(H,7,8)(H,9,10).

What are the key properties of 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide?

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 923.66 g/mol, XLogP of 8.29, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-chloro-6-nitro-3-phenoxyaniline;2,2-dichloro-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 173260360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).