4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide

C17H16ClFN2O4 — CID 42475729

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)ccc2F)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H16ClFN2O4/c1-9-3-4-12(19)13(5-9)21-17(23)10-6-11(18)16(14(7-10)24-2)25-8-15(20)22/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyXWTZRROOQZREAP-UHFFFAOYSA-N
MW366.78 g/mol
LogP2.91
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide (PubChem CID 42475729) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
PubChem CID42475729
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)ccc2F)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H16ClFN2O4/c1-9-3-4-12(19)13(5-9)21-17(23)10-6-11(18)16(14(7-10)24-2)25-8-15(20)22/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyXWTZRROOQZREAP-UHFFFAOYSA-N
XLogP2.91
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
4-(2-amino-2-oxoethoxy)-N-(2,4-dimethylphenyl)-3,5-dimethoxybenzamide
CID 9243234
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
CID 18138817
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55499160
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
CID 55429549
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 24590783
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide (CID 42475729) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide is COc1cc(C(=O)Nc2cc(C)ccc2F)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide?
The InChIKey is XWTZRROOQZREAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-9-3-4-12(19)13(5-9)21-17(23)10-6-11(18)16(14(7-10)24-2)25-8-15(20)22/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide has a molecular weight of 366.78 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 42475729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).