N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide

C25H35ClN2O2 — CID 18336920

IUPACN-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCC2CCNCC2)ccc1Cl
InChIInChI=1S/C25H35ClN2O2/c26-23-2-1-21(30-8-5-17-3-6-27-7-4-17)12-22(23)24(29)28-16-25-13-18-9-19(14-25)11-20(10-18)15-25/h1-2,12,17-20,27H,3-11,13-16H2,(H,28,29)
InChIKeyHLVAQWDPUSCIEP-UHFFFAOYSA-N
MW431.02 g/mol
LogP5.05
Rot. Bonds7

About N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide

N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide (PubChem CID 18336920) has the molecular formula C25H35ClN2O2 and a molecular weight of 431.02 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
PubChem CID18336920
Molecular FormulaC25H35ClN2O2
Molecular Weight431.02 g/mol
Exact Mass430.24
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCC2CCNCC2)ccc1Cl
InChIInChI=1S/C25H35ClN2O2/c26-23-2-1-21(30-8-5-17-3-6-27-7-4-17)12-22(23)24(29)28-16-25-13-18-9-19(14-25)11-20(10-18)15-25/h1-2,12,17-20,27H,3-11,13-16H2,(H,28,29)
InChIKeyHLVAQWDPUSCIEP-UHFFFAOYSA-N
XLogP5.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.02
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
CID 20670038
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfanyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10276272
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide
CID 10183534
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide
CID 10228276
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10228275
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
tert-butyl 4-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]sulfanylpiperidine-4-carboxylate
CID 18381496
2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide
CID 163423915
N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide
CID 18381512
N-(1-bicyclo[3.3.1]nonanylmethyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide
CID 87612647
N-(1-adamantylmethyl)-2-chloro-4-(1,4-diazepan-1-yl)benzamide
CID 18381521

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide (CID 18336920) is N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCC2CCNCC2)ccc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide?
The InChIKey is HLVAQWDPUSCIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O2/c26-23-2-1-21(30-8-5-17-3-6-27-7-4-17)12-22(23)24(29)28-16-25-13-18-9-19(14-25)11-20(10-18)15-25/h1-2,12,17-20,27H,3-11,13-16H2,(H,28,29).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide?
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide has a molecular weight of 431.02 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide is sourced from PubChem (CID 18336920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).