N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide

C17H21ClNO6P — CID 59853456

IUPACN-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCOP(=O)(CCOCc1cc(NC(=O)c2ccoc2C)ccc1Cl)OC
InChIInChI=1S/C17H21ClNO6P/c1-12-15(6-7-25-12)17(20)19-14-4-5-16(18)13(10-14)11-24-8-9-26(21,22-2)23-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyADYVOFCDICEOGW-UHFFFAOYSA-N
MW401.78 g/mol
LogP4.50
Rot. Bonds9

About N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 59853456) has the molecular formula C17H21ClNO6P and a molecular weight of 401.78 g/mol. Its IUPAC name is N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID59853456
Molecular FormulaC17H21ClNO6P
Molecular Weight401.78 g/mol
Exact Mass401.08
IUPAC NameN-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCOP(=O)(CCOCc1cc(NC(=O)c2ccoc2C)ccc1Cl)OC
InChIInChI=1S/C17H21ClNO6P/c1-12-15(6-7-25-12)17(20)19-14-4-5-16(18)13(10-14)11-24-8-9-26(21,22-2)23-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyADYVOFCDICEOGW-UHFFFAOYSA-N
XLogP4.50
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide (CID 59853456) is N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide is COP(=O)(CCOCc1cc(NC(=O)c2ccoc2C)ccc1Cl)OC.
What is the InChIKey of N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is ADYVOFCDICEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClNO6P/c1-12-15(6-7-25-12)17(20)19-14-4-5-16(18)13(10-14)11-24-8-9-26(21,22-2)23-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 401.78 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2-dimethoxyphosphorylethoxymethyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 59853456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).