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

C20H25ClN2O4 — CID 18138322

IUPACN-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C20H25ClN2O4/c1-26-16-8-14(7-15(21)19(16)27-9-17(22)24)20(25)23-18-12-3-10-2-11(5-12)6-13(18)4-10/h7-8,10-13,18H,2-6,9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVRSHEHPWINRWMX-UHFFFAOYSA-N
MW392.88 g/mol
LogP2.77
Rot. Bonds6

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

N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide (PubChem CID 18138322) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
PubChem CID18138322
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC NameN-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C20H25ClN2O4/c1-26-16-8-14(7-15(21)19(16)27-9-17(22)24)20(25)23-18-12-3-10-2-11(5-12)6-13(18)4-10/h7-8,10-13,18H,2-6,9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVRSHEHPWINRWMX-UHFFFAOYSA-N
XLogP2.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
CID 120606571
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-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxybenzamide
CID 26238768
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide chloride
CID 21233301
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614600

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide?
The IUPAC name of N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide (CID 18138322) is N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide.
What is the SMILES notation for N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide?
The canonical SMILES for N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide is COc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC(N)=O.
What is the InChIKey of N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide?
The InChIKey is VRSHEHPWINRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-26-16-8-14(7-15(21)19(16)27-9-17(22)24)20(25)23-18-12-3-10-2-11(5-12)6-13(18)4-10/h7-8,10-13,18H,2-6,9H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide?
N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide has a molecular weight of 392.88 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 18138322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).