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

C18H18ClFN2O4 — CID 18138817

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O4/c1-10-5-11(3-4-14(10)20)8-22-18(24)12-6-13(19)17(15(7-12)25-2)26-9-16(21)23/h3-7H,8-9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyKLUQBVDZGCUMOL-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.59
Rot. Bonds7

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

4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide (PubChem CID 18138817) 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-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
PubChem CID18138817
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O4/c1-10-5-11(3-4-14(10)20)8-22-18(24)12-6-13(19)17(15(7-12)25-2)26-9-16(21)23/h3-7H,8-9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyKLUQBVDZGCUMOL-UHFFFAOYSA-N
XLogP2.59
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide (CID 18138817) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide is COc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide?
The InChIKey is KLUQBVDZGCUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-10-5-11(3-4-14(10)20)8-22-18(24)12-6-13(19)17(15(7-12)25-2)26-9-16(21)23/h3-7H,8-9H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide has a molecular weight of 380.80 g/mol, XLogP of 2.59, 7 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-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 18138817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).