N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide

C20H34ClNO7P2 — CID 23164906

IUPACN-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccc(Cl)cc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34ClNO7P2/c1-13(2)26-30(24,27-14(3)4)20(31(25,28-15(5)6)29-16(7)8)19(23)22-18-11-9-17(21)10-12-18/h9-16,20H,1-8H3,(H,22,23)
InChIKeyKFTFWHZNEKVVKP-UHFFFAOYSA-N
MW497.89 g/mol
LogP6.69
Rot. Bonds12

About N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide

N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide (PubChem CID 23164906) has the molecular formula C20H34ClNO7P2 and a molecular weight of 497.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide
PubChem CID23164906
Molecular FormulaC20H34ClNO7P2
Molecular Weight497.89 g/mol
Exact Mass497.15
IUPAC NameN-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccc(Cl)cc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34ClNO7P2/c1-13(2)26-30(24,27-14(3)4)20(31(25,28-15(5)6)29-16(7)8)19(23)22-18-11-9-17(21)10-12-18/h9-16,20H,1-8H3,(H,22,23)
InChIKeyKFTFWHZNEKVVKP-UHFFFAOYSA-N
XLogP6.69
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.89
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide (CID 23164906) is N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide is CC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccc(Cl)cc1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide?
The InChIKey is KFTFWHZNEKVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClNO7P2/c1-13(2)26-30(24,27-14(3)4)20(31(25,28-15(5)6)29-16(7)8)19(23)22-18-11-9-17(21)10-12-18/h9-16,20H,1-8H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide?
N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide has a molecular weight of 497.89 g/mol, XLogP of 6.69, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide is sourced from PubChem (CID 23164906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).