N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide

C19H25ClN2O — CID 20670042

IUPACN-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
SMILESCNc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25ClN2O/c1-21-15-2-3-17(20)16(7-15)18(23)22-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,21H,4-6,8-11H2,1H3,(H,22,23)
InChIKeyCAYNAIIKEMTKCM-UHFFFAOYSA-N
MW332.87 g/mol
LogP4.33
Rot. Bonds4

About N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide

N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide (PubChem CID 20670042) has the molecular formula C19H25ClN2O and a molecular weight of 332.87 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
PubChem CID20670042
Molecular FormulaC19H25ClN2O
Molecular Weight332.87 g/mol
Exact Mass332.17
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
SMILESCNc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25ClN2O/c1-21-15-2-3-17(20)16(7-15)18(23)22-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,21H,4-6,8-11H2,1H3,(H,22,23)
InChIKeyCAYNAIIKEMTKCM-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-1-ylethylamino)benzamide
CID 20670036
tert-butyl N-[2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloroanilino]ethylamino]ethyl]carbamate
CID 131724406
N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
CID 20670038
N-(1-adamantylmethyl)-5-[3-(tert-butylamino)propyl]-2-chlorobenzamide
CID 10295424
N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3,4-dihydroxybutyl]benzamide
CID 69483573
N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(3-methylimidazol-4-yl)ethylamino]ethylamino]benzamide
CID 10227074
N-(1-adamantylmethyl)-5-[3-[(2-amino-2-methylpropyl)amino]propyl]-2-chlorobenzamide
CID 10298759
3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-6-methylpyridine-2-carboxylic acid
CID 11539417
N-(1-adamantylmethyl)-2-chloro-5-[3-(2-fluoroethylamino)propyl]benzamide
CID 10136060
N-(1-adamantylmethyl)-2-chloro-5-[(1R)-1-hydroxy-2-(3-hydroxypropylamino)ethyl]benzamide
CID 21107382
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide (CID 20670042) is N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide is CNc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide?
The InChIKey is CAYNAIIKEMTKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-21-15-2-3-17(20)16(7-15)18(23)22-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,21H,4-6,8-11H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide?
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide has a molecular weight of 332.87 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide is sourced from PubChem (CID 20670042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).