4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide

C18H18ClFN2O4 — CID 18136436

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O4/c1-22(9-11-4-3-5-13(20)6-11)18(24)12-7-14(19)17(15(8-12)25-2)26-10-16(21)23/h3-8H,9-10H2,1-2H3,(H2,21,23)
InChIKeyVZSQGJCHQDTQNU-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.62
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide (PubChem CID 18136436) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
PubChem CID18136436
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O4/c1-22(9-11-4-3-5-13(20)6-11)18(24)12-7-14(19)17(15(8-12)25-2)26-10-16(21)23/h3-8H,9-10H2,1-2H3,(H2,21,23)
InChIKeyVZSQGJCHQDTQNU-UHFFFAOYSA-N
XLogP2.62
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
CID 55953731
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 42143260
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
CID 55916919
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
CID 119660135
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
(3-chlorophenyl)methyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 55496698

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide (CID 18136436) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide?
The InChIKey is VZSQGJCHQDTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-22(9-11-4-3-5-13(20)6-11)18(24)12-7-14(19)17(15(8-12)25-2)26-10-16(21)23/h3-8H,9-10H2,1-2H3,(H2,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide has a molecular weight of 380.80 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 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-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 18136436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).